data_6oc4_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6oc4 _Structure_validation_residue.Date_analyzed 2020-01-03 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 N--CA 1.489 1.497 0 CA-C-O 120.744 0.307 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 14.9 mmt -133.78 156.55 47.8 Favored 'General case' 0 CA--C 1.486 -1.512 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.15 93.28 2.52 Favored 'General case' 0 CA--C 1.468 -2.184 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.604 ' O ' ' HB2' ' A' ' 7' ' ' PHE . 18.0 mt -123.37 -17.21 6.62 Favored 'General case' 0 N--CA 1.422 -1.837 0 CA-C-N 113.841 -1.527 . . . . 0.0 107.354 -179.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.2 p . . . . . 0 CA--C 1.48 -1.715 0 N-CA-C 106.225 -1.768 . . . . 0.0 106.225 -179.395 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.633 ' C ' ' H ' ' A' ' 9' ' ' ARG . 5.3 m-85 . . . . . 0 N--CA 1.4 -2.945 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' A' ' 4' ' ' LEU . 12.4 m-85 -96.3 36.95 1.29 Allowed 'General case' 0 CA--C 1.462 -2.437 0 CA-C-O 124.951 2.31 . . . . 0.0 105.97 -178.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.633 ' H ' ' C ' ' A' ' 7' ' ' PHE . 1.1 mtp180 -153.19 -21.98 0.15 Allowed 'General case' 0 N--CA 1.408 -2.533 0 CA-C-N 108.433 -3.985 . . . . 0.0 106.411 175.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.624 ' HG2' ' CD1' ' A' ' 11' ' ' PHE . 3.6 pm0 -151.6 174.21 13.73 Favored 'General case' 0 C--N 1.379 1.88 0 C-N-CA 119.789 -0.764 . . . . 0.0 109.377 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.624 ' CD1' ' HG2' ' A' ' 10' ' ' GLN . 71.9 m-85 80.87 -78.16 0.03 OUTLIER 'General case' 0 CA--C 1.499 -1.007 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 178.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.478 ' CD1' ' HB3' ' A' ' 7' ' ' PHE . 4.6 mp -75.18 -42.56 44.52 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.812 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.9 mt -83.47 -52.66 6.31 Favored 'General case' 0 N--CA 1.417 -2.079 0 CA-C-N 114.608 -1.178 . . . . 0.0 110.267 -174.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -113.9 132.2 56.01 Favored 'General case' 0 CA--C 1.497 -1.082 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.9 ptt180 -151.84 163.5 39.08 Favored 'General case' 0 CA--C 1.494 -1.184 0 N-CA-C 106.873 -1.528 . . . . 0.0 106.873 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -97.63 -7.2 31.59 Favored 'General case' 0 CA--C 1.497 -1.094 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 -177.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--O 1.262 1.751 0 CA-C-O 117.872 -1.061 . . . . 0.0 108.246 -179.649 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 120.614 0.245 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 63.4 mtt -132.1 151.34 51.82 Favored 'General case' 0 CA--C 1.488 -1.405 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.09 91.67 2.59 Favored 'General case' 0 CA--C 1.467 -2.23 0 N-CA-C 106.473 -1.677 . . . . 0.0 106.473 179.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.603 ' O ' ' HB2' ' A' ' 7' ' ' PHE . 16.7 mt -121.05 -12.44 8.73 Favored 'General case' 0 N--CA 1.421 -1.904 0 CA-C-N 114.017 -1.447 . . . . 0.0 108.102 -178.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.5 p . . . . . 0 CA--C 1.484 -1.579 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 -179.738 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.637 ' C ' ' H ' ' A' ' 9' ' ' ARG . 5.0 m-85 . . . . . 0 N--CA 1.397 -3.086 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.586 ' CE1' ' O ' ' A' ' 4' ' ' LEU . 14.6 m-85 -97.21 36.62 1.42 Allowed 'General case' 0 CA--C 1.46 -2.483 0 CA-C-O 125.022 2.344 . . . . 0.0 106.28 -178.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.637 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -155.51 -19.56 0.11 Allowed 'General case' 0 N--CA 1.409 -2.475 1 CA-C-N 108.342 -4.026 . . . . 0.0 106.507 175.43 . . . . . . . . 4 4 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.403 ' H ' ' H ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -148.48 178.59 8.48 Favored 'General case' 0 C--N 1.382 1.979 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -178.297 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.48 ' HB2' HD12 ' A' ' 12' ' ' ILE . 78.2 m-85 72.59 -76.33 0.07 Allowed 'General case' 0 CA--C 1.502 -0.887 0 CA-C-O 121.119 0.485 . . . . 0.0 110.398 177.233 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.566 ' CD1' ' HB3' ' A' ' 7' ' ' PHE . 4.1 mp -75.84 -43.64 39.64 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.831 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -178.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.425 HD11 ' HA ' ' A' ' 9' ' ' ARG . 4.3 mt -83.16 -64.58 1.14 Allowed 'General case' 0 N--CA 1.415 -2.201 0 CA-C-N 114.389 -1.278 . . . . 0.0 109.876 -174.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.8 mm100 58.95 45.32 15.21 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.0 mmt85 -73.78 135.61 43.54 Favored 'General case' 0 CA--C 1.499 -1.003 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -94.37 -11.38 30.05 Favored 'General case' 0 CA--C 1.493 -1.243 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.3 mttt . . . . . 0 C--O 1.262 1.735 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 179.763 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 120.776 0.322 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 66.7 mtt -131.33 151.49 51.46 Favored 'General case' 0 CA--C 1.487 -1.458 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.42 88.09 2.18 Favored 'General case' 0 CA--C 1.467 -2.248 0 CA-C-O 122.977 1.37 . . . . 0.0 107.518 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.607 ' O ' ' HB2' ' A' ' 7' ' ' PHE . 23.0 mt -117.47 -16.03 10.23 Favored 'General case' 0 N--CA 1.421 -1.895 0 CA-C-N 113.926 -1.488 . . . . 0.0 107.563 -179.08 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.5 p . . . . . 0 CA--C 1.482 -1.643 0 O-C-N 119.978 -1.701 . . . . 0.0 106.563 -179.498 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.638 ' C ' ' H ' ' A' ' 9' ' ' ARG . 5.3 m-85 . . . . . 0 N--CA 1.399 -3.02 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.601 ' CE1' ' O ' ' A' ' 4' ' ' LEU . 13.7 m-85 -97.18 37.27 1.34 Allowed 'General case' 0 CA--C 1.461 -2.444 0 CA-C-O 125.008 2.337 . . . . 0.0 106.28 -178.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.638 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -156.23 -18.74 0.1 Allowed 'General case' 0 N--CA 1.41 -2.438 1 CA-C-N 108.352 -4.022 . . . . 0.0 106.459 175.17 . . . . . . . . 4 4 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -148.86 177.93 9.12 Favored 'General case' 0 C--N 1.382 2.013 0 O-C-N 121.545 -0.722 . . . . 0.0 109.092 -178.401 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.481 ' HB2' HD11 ' A' ' 12' ' ' ILE . 81.8 m-85 73.22 -76.63 0.06 Allowed 'General case' 0 CA--C 1.501 -0.917 0 CA-C-O 121.157 0.503 . . . . 0.0 110.212 177.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.57 ' CD1' ' HB3' ' A' ' 7' ' ' PHE . 4.2 mp -75.73 -42.77 40.78 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.833 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 -178.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 9' ' ' ARG . 4.5 mt -84.77 -52.88 5.73 Favored 'General case' 0 N--CA 1.416 -2.14 0 CA-C-N 114.627 -1.17 . . . . 0.0 110.093 -174.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -108.3 135.49 49.53 Favored 'General case' 0 CA--C 1.497 -1.083 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -127.25 147.52 50.22 Favored 'General case' 0 CA--C 1.497 -1.095 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -95.93 -9.73 30.5 Favored 'General case' 0 CA--C 1.493 -1.229 0 N-CA-C 107.281 -1.378 . . . . 0.0 107.281 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt . . . . . 0 C--O 1.261 1.708 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.94 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 120.77 0.319 . . . . 0.0 110.696 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 79.2 mtm -130.72 150.54 51.85 Favored 'General case' 0 CA--C 1.486 -1.5 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.91 93.17 2.52 Favored 'General case' 0 CA--C 1.465 -2.319 0 CA-C-O 122.971 1.367 . . . . 0.0 107.46 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.484 HD21 ' CD1' ' A' ' 7' ' ' PHE . 67.9 mt -130.39 73.02 1.51 Allowed 'General case' 0 CA--C 1.472 -2.056 0 CA-C-N 113.665 -1.607 . . . . 0.0 107.566 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.424 ' HA ' ' CD1' ' A' ' 8' ' ' PHE . 22.7 p . . . . . 0 CA--C 1.479 -1.753 0 CA-C-N 112.092 -2.322 . . . . 0.0 105.809 177.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.652 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 7.6 m-85 . . . . . 0 N--CA 1.387 -3.597 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.652 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 30.2 m-85 -103.97 40.5 1.44 Allowed 'General case' 0 CA--C 1.463 -2.388 0 CA-C-O 125.223 2.44 . . . . 0.0 105.711 -176.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.55 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -160.57 -19.64 0.06 Allowed 'General case' 0 N--CA 1.417 -2.122 1 CA-C-N 107.932 -4.213 . . . . 0.0 106.028 176.183 . . . . . . . . 4 4 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.32 179.93 8.1 Favored 'General case' 0 C--N 1.382 2.006 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 -179.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.525 ' HB2' HD13 ' A' ' 12' ' ' ILE . 58.5 m-85 73.82 -70.39 0.16 Allowed 'General case' 0 C--N 1.357 0.931 0 CA-C-O 121.07 0.462 . . . . 0.0 110.229 177.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.525 HD13 ' HB2' ' A' ' 11' ' ' PHE . 3.9 mp -83.77 -42.97 17.72 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.754 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -178.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.455 HD11 ' HA ' ' A' ' 9' ' ' ARG . 7.1 mt -80.9 -52.21 7.72 Favored 'General case' 0 N--CA 1.42 -1.936 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.148 -174.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -154.2 157.82 39.37 Favored 'General case' 0 CA--C 1.497 -1.074 0 C-N-CA 119.353 -0.939 . . . . 0.0 108.585 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -151.41 159.51 44.2 Favored 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.35 -15.62 39.94 Favored 'General case' 0 CA--C 1.499 -1.013 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -179.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt . . . . . 0 C--O 1.261 1.696 0 CA-C-O 117.904 -1.046 . . . . 0.0 108.432 -179.395 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 120.69 0.281 . . . . 0.0 110.748 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 65.8 mtt -131.39 151.31 51.64 Favored 'General case' 0 CA--C 1.485 -1.545 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.4 92.76 2.67 Favored 'General case' 0 CA--C 1.465 -2.322 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.489 HD23 ' CD1' ' A' ' 7' ' ' PHE . 68.8 mt -130.23 73.52 1.54 Allowed 'General case' 0 N--CA 1.418 -2.065 0 CA-C-N 113.629 -1.623 . . . . 0.0 107.614 -179.3 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.428 ' HA ' ' CD1' ' A' ' 8' ' ' PHE . 22.4 p . . . . . 0 CA--C 1.479 -1.766 0 CA-C-N 111.974 -2.376 . . . . 0.0 105.757 177.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.654 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 7.8 m-85 . . . . . 0 N--CA 1.387 -3.603 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.654 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 29.4 m-85 -103.74 40.41 1.44 Allowed 'General case' 0 CA--C 1.463 -2.393 0 CA-C-O 125.282 2.468 . . . . 0.0 105.786 -176.322 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.526 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -160.56 -19.77 0.06 Allowed 'General case' 0 N--CA 1.417 -2.1 1 CA-C-N 107.908 -4.223 . . . . 0.0 106.037 176.207 . . . . . . . . 4 4 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.95 179.86 8.09 Favored 'General case' 0 C--N 1.382 1.983 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 -179.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.504 ' HB2' HD13 ' A' ' 12' ' ' ILE . 57.4 m-85 73.72 -72.34 0.12 Allowed 'General case' 0 CA--C 1.501 -0.911 0 CA-C-O 121.133 0.492 . . . . 0.0 109.914 177.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.504 HD13 ' HB2' ' A' ' 11' ' ' PHE . 3.9 mp -81.22 -42.21 19.68 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.754 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 -179.003 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 9' ' ' ARG . 6.1 mt -84.29 -51.62 6.85 Favored 'General case' 0 N--CA 1.418 -2.04 0 CA-C-N 115.076 -0.966 . . . . 0.0 110.242 -174.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -140.76 134.22 29.93 Favored 'General case' 0 CA--C 1.499 -0.983 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -141.28 158.51 43.79 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.88 -14.86 35.84 Favored 'General case' 0 CA--C 1.499 -0.991 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -179.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt . . . . . 0 C--O 1.261 1.658 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 -179.441 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 120.786 0.326 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 79.5 mtm -131.99 150.68 52.09 Favored 'General case' 0 CA--C 1.486 -1.498 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.0 89.5 2.31 Favored 'General case' 0 CA--C 1.468 -2.211 0 CA-C-O 123.032 1.396 . . . . 0.0 107.483 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.602 ' O ' ' CE1' ' A' ' 8' ' ' PHE . 21.6 mt -117.67 -16.41 10.07 Favored 'General case' 0 N--CA 1.422 -1.854 0 CA-C-N 113.681 -1.6 . . . . 0.0 107.321 -179.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.6 p . . . . . 0 CA--C 1.482 -1.653 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 -179.335 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.611 ' C ' ' H ' ' A' ' 9' ' ' ARG . 4.9 m-85 . . . . . 0 N--CA 1.398 -3.042 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' A' ' 4' ' ' LEU . 13.4 m-85 -97.08 37.12 1.34 Allowed 'General case' 0 CA--C 1.46 -2.512 0 CA-C-O 124.962 2.315 . . . . 0.0 106.355 -178.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.611 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -155.87 -19.01 0.1 Allowed 'General case' 0 N--CA 1.41 -2.432 0 CA-C-N 108.424 -3.989 . . . . 0.0 106.466 175.321 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.55 178.8 8.31 Favored 'General case' 0 C--N 1.382 1.995 0 O-C-N 121.48 -0.762 . . . . 0.0 109.01 -178.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.477 ' CD1' ' CD1' ' A' ' 7' ' ' PHE . 77.4 m-85 72.13 -78.4 0.05 OUTLIER 'General case' 0 CA--C 1.503 -0.858 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.232 177.248 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.566 ' CD1' ' HB3' ' A' ' 7' ' ' PHE . 4.2 mp -73.37 -43.18 56.72 Favored 'Isoleucine or valine' 0 CA--C 1.473 -2.014 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 -178.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.442 HD13 ' HA ' ' A' ' 9' ' ' ARG . 4.1 mt -83.36 -82.12 0.16 Allowed 'General case' 0 N--CA 1.412 -2.374 0 CA-C-N 114.376 -1.284 . . . . 0.0 108.7 -175.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.412 ' H ' ' HB2' ' A' ' 13' ' ' LEU . 50.4 tt0 -177.15 -88.98 0.0 OUTLIER 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -159.93 166.21 30.58 Favored 'General case' 0 N--CA 1.436 -1.141 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -93.03 -10.4 36.35 Favored 'General case' 0 CA--C 1.495 -1.143 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 -178.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt . . . . . 0 C--O 1.261 1.688 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 -179.548 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 120.725 0.298 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 67.4 mtt -130.05 151.09 50.97 Favored 'General case' 0 CA--C 1.485 -1.539 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.77 92.72 2.77 Favored 'General case' 0 CA--C 1.464 -2.345 0 CA-C-O 122.953 1.359 . . . . 0.0 107.475 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.486 HD22 ' CD1' ' A' ' 7' ' ' PHE . 67.5 mt -130.69 73.11 1.52 Allowed 'General case' 0 N--CA 1.416 -2.129 0 CA-C-N 113.651 -1.613 . . . . 0.0 107.472 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.42 ' HA ' ' CD1' ' A' ' 8' ' ' PHE . 23.1 p . . . . . 0 CA--C 1.478 -1.804 0 CA-C-N 112.041 -2.345 . . . . 0.0 105.838 177.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.656 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 8.0 m-85 . . . . . 0 N--CA 1.387 -3.592 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.656 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 29.1 m-85 -103.61 40.46 1.42 Allowed 'General case' 0 CA--C 1.462 -2.405 0 CA-C-O 125.27 2.462 . . . . 0.0 105.882 -176.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.546 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -160.29 -20.45 0.06 Allowed 'General case' 0 N--CA 1.417 -2.115 1 CA-C-N 107.952 -4.204 . . . . 0.0 105.98 176.213 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.421 ' H ' ' H ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -151.9 -179.37 7.41 Favored 'General case' 0 C--N 1.381 1.966 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 -179.025 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.512 ' HB2' HD12 ' A' ' 12' ' ' ILE . 55.4 m-85 73.42 -72.15 0.12 Allowed 'General case' 0 C--N 1.357 0.932 0 CA-C-O 121.156 0.503 . . . . 0.0 109.968 177.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.512 HD12 ' HB2' ' A' ' 11' ' ' PHE . 3.9 mp -81.71 -44.02 20.08 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.822 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 -179.151 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 9' ' ' ARG . 5.4 mt -82.97 -50.93 8.05 Favored 'General case' 0 N--CA 1.419 -2.021 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.148 -175.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -97.1 118.25 33.11 Favored 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 84.4 mtt85 -77.83 148.95 34.46 Favored 'General case' 0 N--CA 1.439 -0.98 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -89.17 -13.96 37.17 Favored 'General case' 0 CA--C 1.495 -1.135 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt . . . . . 0 C--O 1.262 1.757 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 120.863 0.364 . . . . 0.0 110.743 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -156.14 163.89 39.07 Favored 'General case' 0 CA--C 1.484 -1.562 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.76 81.52 1.22 Allowed 'General case' 0 CA--C 1.466 -2.284 0 CA-C-O 123.053 1.406 . . . . 0.0 107.44 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.611 ' O ' ' CE1' ' A' ' 8' ' ' PHE . 23.2 mt -112.66 -16.36 12.82 Favored 'General case' 0 N--CA 1.42 -1.954 0 CA-C-N 113.702 -1.59 . . . . 0.0 107.582 -178.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.6 p . . . . . 0 CA--C 1.483 -1.61 0 O-C-N 120.012 -1.68 . . . . 0.0 106.483 -179.451 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.627 ' C ' ' H ' ' A' ' 9' ' ' ARG . 4.8 m-85 . . . . . 0 N--CA 1.399 -2.999 0 N-CA-C 107.802 -1.185 . . . . 0.0 107.802 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.611 ' CE1' ' O ' ' A' ' 4' ' ' LEU . 13.8 m-85 -97.08 37.43 1.32 Allowed 'General case' 0 CA--C 1.462 -2.426 0 CA-C-O 124.976 2.322 . . . . 0.0 106.2 -178.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.627 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -156.24 -19.55 0.1 Allowed 'General case' 0 N--CA 1.41 -2.461 1 CA-C-N 108.347 -4.024 . . . . 0.0 106.394 175.286 . . . . . . . . 4 4 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -148.08 178.69 8.33 Favored 'General case' 0 C--N 1.382 1.993 0 CA-C-O 121.589 0.709 . . . . 0.0 109.14 -178.254 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.5 ' CD1' ' CD1' ' A' ' 7' ' ' PHE . 83.5 m-85 72.71 -77.02 0.06 Allowed 'General case' 0 CA--C 1.502 -0.876 0 CA-C-O 121.259 0.552 . . . . 0.0 110.156 177.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 7' ' ' PHE . 4.3 mp -75.31 -42.2 43.56 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.842 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 -178.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 9' ' ' ARG . 4.6 mt -84.89 -52.0 6.32 Favored 'General case' 0 N--CA 1.416 -2.127 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.277 -174.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -114.04 140.45 48.44 Favored 'General case' 0 CA--C 1.497 -1.085 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -179.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.9 ptp85 -148.97 159.85 43.83 Favored 'General case' 0 N--CA 1.437 -1.088 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.68 -15.19 37.85 Favored 'General case' 0 CA--C 1.499 -0.989 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 -179.233 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt . . . . . 0 C--O 1.261 1.667 0 CA-C-O 117.901 -1.047 . . . . 0.0 108.545 -179.333 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 120.832 0.348 . . . . 0.0 110.789 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 79.3 mtm -133.37 150.87 51.81 Favored 'General case' 0 CA--C 1.483 -1.599 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.0 109.83 11.55 Favored 'General case' 0 CA--C 1.468 -2.178 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 177.2 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.51 HD23 ' CD1' ' A' ' 7' ' ' PHE . 59.6 mt -132.27 69.83 1.47 Allowed 'General case' 0 N--CA 1.418 -2.061 0 CA-C-O 123.402 1.572 . . . . 0.0 107.987 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.432 ' HA ' ' CD1' ' A' ' 8' ' ' PHE . 19.2 p . . . . . 0 CA--C 1.478 -1.814 0 CA-C-N 111.912 -2.403 . . . . 0.0 105.784 176.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.638 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 6.7 m-85 . . . . . 0 N--CA 1.388 -3.545 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.638 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 29.4 m-85 -103.1 39.3 1.58 Allowed 'General case' 0 CA--C 1.462 -2.414 0 CA-C-O 125.205 2.431 . . . . 0.0 105.641 -176.506 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.536 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -157.62 -18.91 0.08 Allowed 'General case' 0 N--CA 1.416 -2.15 1 CA-C-N 108.032 -4.167 . . . . 0.0 105.759 175.803 . . . . . . . . 4 4 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.573 ' HG2' ' CD1' ' A' ' 11' ' ' PHE . 3.6 pm0 -155.61 174.43 15.29 Favored 'General case' 0 C--N 1.38 1.924 0 O-C-N 121.378 -0.826 . . . . 0.0 109.224 178.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.573 ' CD1' ' HG2' ' A' ' 10' ' ' GLN . 43.0 m-85 80.35 -77.83 0.03 OUTLIER 'General case' 0 CA--C 1.499 -0.985 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 178.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.418 HD11 ' HB2' ' A' ' 11' ' ' PHE . 4.4 mp -74.7 -43.65 47.11 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.907 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 -179.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 9' ' ' ARG . 6.3 mt -80.79 -77.26 0.21 Allowed 'General case' 0 N--CA 1.416 -2.139 0 CA-C-N 114.769 -1.105 . . . . 0.0 108.836 -175.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -175.2 -102.16 0.0 OUTLIER 'General case' 0 CA--C 1.505 -0.753 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 96.1 mtm-85 -139.13 159.94 40.97 Favored 'General case' 0 CA--C 1.496 -1.128 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.15 -17.58 42.45 Favored 'General case' 0 CA--C 1.497 -1.075 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt . . . . . 0 C--O 1.261 1.663 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 -179.755 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 120.771 0.32 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 67.3 mtt -130.34 151.94 50.29 Favored 'General case' 0 CA--C 1.485 -1.553 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.35 93.58 3.0 Favored 'General case' 0 CA--C 1.465 -2.317 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 179.658 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.496 HD21 ' CD1' ' A' ' 7' ' ' PHE . 68.6 mt -130.63 73.05 1.52 Allowed 'General case' 0 CA--C 1.472 -2.037 0 CA-C-N 113.772 -1.558 . . . . 0.0 107.679 -179.329 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.428 ' HA ' ' CD1' ' A' ' 8' ' ' PHE . 23.2 p . . . . . 0 CA--C 1.479 -1.774 0 CA-C-N 112.167 -2.288 . . . . 0.0 106.481 177.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.62 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 7.6 m-85 . . . . . 0 N--CA 1.395 -3.2 0 CA-C-O 121.357 0.599 . . . . 0.0 109.702 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.62 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 31.7 m-85 -100.64 35.8 2.07 Favored 'General case' 0 CA--C 1.456 -2.671 0 CA-C-O 125.173 2.416 . . . . 0.0 105.501 -176.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.606 ' H ' ' C ' ' A' ' 7' ' ' PHE . 1.6 mtp180 -151.4 -21.05 0.2 Allowed 'General case' 0 N--CA 1.406 -2.626 1 CA-C-N 108.08 -4.145 . . . . 0.0 106.28 175.749 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.578 ' HG2' ' CD1' ' A' ' 11' ' ' PHE . 5.0 pm0 -155.25 175.82 13.36 Favored 'General case' 0 C--N 1.38 1.916 0 C-N-CA 119.855 -0.738 . . . . 0.0 109.227 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.578 ' CD1' ' HG2' ' A' ' 10' ' ' GLN . 52.8 m-85 80.92 -72.63 0.06 Allowed 'General case' 0 CA--C 1.499 -1.01 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 178.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.48 HD11 ' HB2' ' A' ' 11' ' ' PHE . 4.1 mp -81.66 -42.54 19.44 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.729 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 mt -82.32 -53.03 6.36 Favored 'General case' 0 N--CA 1.42 -1.936 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.951 -175.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -133.58 127.71 33.65 Favored 'General case' 0 CA--C 1.499 -0.997 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 -178.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.4 ptt85 -139.75 139.17 36.42 Favored 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -72.05 -39.86 68.76 Favored 'General case' 0 CA--C 1.491 -1.291 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.1 mtmt . . . . . 0 C--O 1.259 1.593 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -179.394 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 120.767 0.318 . . . . 0.0 110.747 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 67.2 mtt -131.51 151.35 51.65 Favored 'General case' 0 CA--C 1.482 -1.658 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.41 89.9 3.13 Favored 'General case' 0 CA--C 1.458 -2.576 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.525 HD21 ' CD1' ' A' ' 7' ' ' PHE . 69.5 mt -115.12 74.49 0.88 Allowed 'General case' 0 CA--C 1.472 -2.043 0 CA-C-N 112.929 -1.941 . . . . 0.0 108.872 -177.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.427 ' HA ' ' CD1' ' A' ' 8' ' ' PHE . 21.6 p . . . . . 0 CA--C 1.48 -1.712 0 CA-C-N 112.046 -2.343 . . . . 0.0 105.834 176.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.647 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 9.7 m-85 . . . . . 0 N--CA 1.387 -3.603 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.647 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 26.6 m-85 -104.34 39.81 1.59 Allowed 'General case' 0 CA--C 1.464 -2.349 0 CA-C-O 125.117 2.389 . . . . 0.0 105.704 -176.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.531 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -159.76 -21.26 0.07 Allowed 'General case' 0 N--CA 1.418 -2.069 1 CA-C-N 108.175 -4.102 . . . . 0.0 106.154 176.209 . . . . . . . . 4 4 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.09 -174.34 4.84 Favored 'General case' 0 C--N 1.379 1.872 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 -179.235 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.454 ' HB2' HD11 ' A' ' 12' ' ' ILE . 56.6 m-85 70.89 -74.28 0.09 Allowed 'General case' 0 C--N 1.358 0.938 0 CA-C-O 120.969 0.414 . . . . 0.0 109.896 178.197 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.481 ' CD1' ' HB3' ' A' ' 7' ' ' PHE . 3.9 mp -80.82 -47.25 20.56 Favored 'Isoleucine or valine' 0 CA--C 1.476 -1.903 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 -179.242 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 9' ' ' ARG . 5.3 mt -78.91 -45.01 21.46 Favored 'General case' 0 N--CA 1.417 -2.091 0 CA-C-N 114.61 -1.177 . . . . 0.0 107.926 -176.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 78.93 -50.79 0.45 Allowed 'General case' 0 CA--C 1.504 -0.791 0 CA-C-N 115.215 -0.902 . . . . 0.0 108.981 179.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 95.9 mtm-85 -126.88 148.23 50.02 Favored 'General case' 0 CA--C 1.496 -1.111 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -93.87 -9.66 36.51 Favored 'General case' 0 CA--C 1.494 -1.202 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 87.9 tttt . . . . . 0 C--O 1.262 1.757 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 120.758 0.313 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 99.4 mtp -129.79 148.76 51.7 Favored 'General case' 0 CA--C 1.486 -1.492 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.9 95.32 2.67 Favored 'General case' 0 CA--C 1.468 -2.183 0 CA-C-O 123.151 1.453 . . . . 0.0 107.675 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.605 ' O ' ' CE1' ' A' ' 8' ' ' PHE . 18.2 mt -123.73 -17.32 6.42 Favored 'General case' 0 N--CA 1.423 -1.824 0 CA-C-N 113.722 -1.581 . . . . 0.0 107.289 179.35 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.1 p . . . . . 0 CA--C 1.483 -1.609 0 N-CA-C 106.334 -1.728 . . . . 0.0 106.334 -179.453 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.605 ' C ' ' H ' ' A' ' 9' ' ' ARG . 5.4 m-85 . . . . . 0 N--CA 1.399 -2.996 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.605 ' CE1' ' O ' ' A' ' 4' ' ' LEU . 13.2 m-85 -97.4 36.86 1.41 Allowed 'General case' 0 CA--C 1.462 -2.434 0 CA-C-O 124.943 2.306 . . . . 0.0 106.224 -178.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.605 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -155.67 -19.64 0.11 Allowed 'General case' 0 N--CA 1.41 -2.443 0 CA-C-N 108.514 -3.948 . . . . 0.0 106.58 175.311 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.93 -178.4 6.26 Favored 'General case' 0 C--N 1.381 1.973 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 -178.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.482 ' CD1' ' CD1' ' A' ' 7' ' ' PHE . 79.9 m-85 70.4 -79.18 0.04 OUTLIER 'General case' 0 CA--C 1.503 -0.859 0 CA-C-O 121.014 0.435 . . . . 0.0 110.24 177.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.57 ' CD1' ' HB3' ' A' ' 7' ' ' PHE . 4.3 mp -73.21 -44.7 55.19 Favored 'Isoleucine or valine' 0 CA--C 1.474 -1.95 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 -178.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 9' ' ' ARG . 4.0 mt -83.23 -49.55 9.32 Favored 'General case' 0 N--CA 1.412 -2.353 0 CA-C-N 114.137 -1.392 . . . . 0.0 108.057 -176.265 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 76.51 -56.15 0.57 Allowed 'General case' 0 C--N 1.355 0.815 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.143 179.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.9 mmt180 -110.63 139.6 45.74 Favored 'General case' 0 CA--C 1.496 -1.11 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.96 -9.25 31.64 Favored 'General case' 0 CA--C 1.493 -1.244 0 N-CA-C 106.573 -1.639 . . . . 0.0 106.573 179.156 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 87.7 tttt . . . . . 0 C--O 1.262 1.715 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 -179.941 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 120.769 0.319 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 79.5 mtm -131.19 150.52 52.11 Favored 'General case' 0 CA--C 1.487 -1.459 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.81 88.73 2.26 Favored 'General case' 0 CA--C 1.467 -2.24 0 CA-C-O 122.973 1.368 . . . . 0.0 107.557 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.602 ' O ' ' CE1' ' A' ' 8' ' ' PHE . 21.8 mt -118.7 -16.59 9.37 Favored 'General case' 0 N--CA 1.421 -1.879 0 CA-C-N 113.728 -1.578 . . . . 0.0 107.326 -179.226 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.5 p . . . . . 0 CA--C 1.483 -1.605 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 -179.499 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.648 ' C ' ' H ' ' A' ' 9' ' ' ARG . 4.9 m-85 . . . . . 0 N--CA 1.398 -3.04 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' A' ' 4' ' ' LEU . 13.6 m-85 -97.1 37.15 1.34 Allowed 'General case' 0 CA--C 1.462 -2.424 0 CA-C-O 125.025 2.345 . . . . 0.0 106.236 -178.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.648 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -156.49 -17.51 0.1 Allowed 'General case' 0 N--CA 1.411 -2.406 1 CA-C-N 108.322 -4.035 . . . . 0.0 106.511 175.24 . . . . . . . . 4 4 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.5 176.89 10.21 Favored 'General case' 0 C--N 1.383 2.032 0 CA-C-O 121.657 0.741 . . . . 0.0 109.104 -178.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.484 ' CE1' ' CE1' ' A' ' 7' ' ' PHE . 82.9 m-85 73.72 -77.76 0.05 Allowed 'General case' 0 CA--C 1.501 -0.921 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.171 177.195 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.549 ' CD1' ' HB3' ' A' ' 7' ' ' PHE . 4.3 mp -74.5 -42.83 49.23 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.843 0 CA-C-O 121.987 0.898 . . . . 0.0 108.822 -178.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.46 HD11 ' HA ' ' A' ' 9' ' ' ARG . 5.2 mt -81.82 -50.44 9.22 Favored 'General case' 0 N--CA 1.417 -2.12 0 CA-C-N 114.59 -1.186 . . . . 0.0 110.55 -174.255 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -149.08 151.81 35.09 Favored 'General case' 0 CA--C 1.498 -1.027 0 C-N-CA 119.03 -1.068 . . . . 0.0 108.865 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -76.76 148.97 36.35 Favored 'General case' 0 CA--C 1.5 -0.972 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.79 -22.03 60.9 Favored 'General case' 0 CA--C 1.501 -0.942 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp . . . . . 0 C--O 1.263 1.801 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 -179.935 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 120.721 0.296 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 99.2 mtp -131.56 152.15 51.01 Favored 'General case' 0 CA--C 1.483 -1.625 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.19 114.46 14.5 Favored 'General case' 0 CA--C 1.47 -2.135 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 177.457 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.516 HD21 ' CD1' ' A' ' 7' ' ' PHE . 64.5 mt -131.04 68.6 1.48 Allowed 'General case' 0 CA--C 1.472 -2.032 0 CA-C-O 123.391 1.567 . . . . 0.0 108.458 179.363 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.424 ' HA ' ' CD1' ' A' ' 8' ' ' PHE . 27.5 p . . . . . 0 CA--C 1.479 -1.767 0 CA-C-N 112.062 -2.336 . . . . 0.0 106.714 176.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.621 ' C ' ' H ' ' A' ' 9' ' ' ARG . 6.9 m-85 . . . . . 0 N--CA 1.395 -3.193 0 CA-C-O 121.362 0.601 . . . . 0.0 109.442 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.62 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 31.3 m-85 -100.41 35.69 2.06 Favored 'General case' 0 CA--C 1.458 -2.595 0 CA-C-O 125.11 2.386 . . . . 0.0 105.419 -176.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.621 ' H ' ' C ' ' A' ' 7' ' ' PHE . 2.0 mtp180 -151.29 -22.74 0.21 Allowed 'General case' 0 N--CA 1.407 -2.619 1 CA-C-N 108.083 -4.144 . . . . 0.0 106.213 175.905 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.593 ' HG2' ' CD1' ' A' ' 11' ' ' PHE . 5.5 pm0 -154.41 177.93 10.62 Favored 'General case' 0 C--N 1.381 1.972 0 O-C-N 121.553 -0.717 . . . . 0.0 109.217 179.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.593 ' CD1' ' HG2' ' A' ' 10' ' ' GLN . 53.6 m-85 80.05 -70.85 0.08 Allowed 'General case' 0 CA--C 1.501 -0.909 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.462 HD12 ' HB2' ' A' ' 11' ' ' PHE . 4.0 mp -84.23 -44.11 17.81 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.668 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 -179.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 mt -79.9 -51.09 9.55 Favored 'General case' 0 N--CA 1.42 -1.95 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.706 -175.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -114.31 132.9 56.01 Favored 'General case' 0 CA--C 1.497 -1.06 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -72.27 143.65 48.67 Favored 'General case' 0 CA--C 1.501 -0.933 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -21.92 59.49 Favored 'General case' 0 CA--C 1.5 -0.943 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt . . . . . 0 C--O 1.262 1.743 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 180.0 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 N--CA 1.488 1.469 0 CA-C-O 121.181 0.515 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 99.3 mtp -130.89 148.52 52.67 Favored 'General case' 0 CA--C 1.488 -1.436 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.51 86.82 1.48 Allowed 'General case' 0 CA--C 1.467 -2.238 0 CA-C-O 123.002 1.382 . . . . 0.0 107.977 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.607 ' O ' ' HB2' ' A' ' 7' ' ' PHE . 24.3 mt -118.49 -16.31 9.54 Favored 'General case' 0 N--CA 1.421 -1.899 0 CA-C-N 113.756 -1.566 . . . . 0.0 107.163 -179.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.9 p . . . . . 0 CA--C 1.482 -1.652 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 -179.353 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.621 ' C ' ' H ' ' A' ' 9' ' ' ARG . 5.8 m-85 . . . . . 0 N--CA 1.398 -3.026 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.594 ' CE1' ' O ' ' A' ' 4' ' ' LEU . 13.0 m-85 -97.24 37.74 1.31 Allowed 'General case' 0 CA--C 1.461 -2.457 0 CA-C-O 125.068 2.366 . . . . 0.0 106.191 -178.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.621 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -155.86 -22.78 0.11 Allowed 'General case' 0 N--CA 1.41 -2.463 1 CA-C-N 108.252 -4.067 . . . . 0.0 106.235 175.171 . . . . . . . . 4 4 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.98 -178.21 6.0 Favored 'General case' 0 C--N 1.38 1.923 0 C-N-CA 119.881 -0.728 . . . . 0.0 109.271 -178.149 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.486 ' HB2' HD12 ' A' ' 12' ' ' ILE . 83.6 m-85 71.41 -72.83 0.11 Allowed 'General case' 0 C--N 1.356 0.89 0 CA-C-O 121.03 0.443 . . . . 0.0 110.275 177.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.553 ' CD1' ' HB3' ' A' ' 7' ' ' PHE . 4.0 mp -81.43 -44.78 20.64 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.828 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 -179.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 9' ' ' ARG . 3.4 mt -84.88 -46.4 11.34 Favored 'General case' 0 N--CA 1.418 -2.035 0 CA-C-N 114.629 -1.168 . . . . 0.0 108.989 -175.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 62.93 48.88 3.75 Favored 'General case' 0 CA--C 1.507 -0.679 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.8 mmp_? -98.11 134.64 40.9 Favored 'General case' 0 CA--C 1.498 -1.043 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -98.1 -11.23 23.09 Favored 'General case' 0 CA--C 1.493 -1.214 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.8 mttm . . . . . 0 C--O 1.261 1.697 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 -179.914 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 120.856 0.36 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 62.9 mtt -131.67 152.14 51.09 Favored 'General case' 0 CA--C 1.485 -1.536 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.403 ' O ' ' HG2' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -137.86 109.78 7.19 Favored 'General case' 0 CA--C 1.471 -2.065 0 N-CA-C 105.569 -2.012 . . . . 0.0 105.569 177.209 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.615 ' O ' ' HB2' ' A' ' 7' ' ' PHE . 20.3 mt -125.59 -20.7 4.65 Favored 'General case' 0 N--CA 1.421 -1.922 0 CA-C-N 114.769 -1.105 . . . . 0.0 108.332 -179.692 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.431 ' HA ' ' CD1' ' A' ' 8' ' ' PHE . 84.9 p . . . . . 0 CA--C 1.485 -1.55 0 O-C-N 119.667 -1.896 . . . . 0.0 106.405 -179.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.615 ' HB2' ' O ' ' A' ' 4' ' ' LEU . 5.1 m-85 . . . . . 0 N--CA 1.391 -3.397 0 N-CA-C 106.838 -1.542 . . . . 0.0 106.838 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.603 ' CE1' ' O ' ' A' ' 4' ' ' LEU . 12.3 m-85 -100.27 40.79 1.22 Allowed 'General case' 0 CA--C 1.469 -2.144 0 CA-C-O 125.073 2.368 . . . . 0.0 106.301 -178.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.544 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -161.52 -18.77 0.05 OUTLIER 'General case' 0 N--CA 1.422 -1.871 1 CA-C-N 108.388 -4.005 . . . . 0.0 106.061 175.412 . . . . . . . . 4 4 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.73 -178.26 6.24 Favored 'General case' 0 C--N 1.379 1.889 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 -178.624 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.518 ' CD1' ' CD1' ' A' ' 7' ' ' PHE . 77.5 m-85 69.96 -77.13 0.06 Allowed 'General case' 0 C--N 1.354 0.792 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.619 177.529 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.588 ' CD1' ' HB3' ' A' ' 7' ' ' PHE . 4.3 mp -75.82 -44.49 39.13 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.84 0 CA-C-O 122.168 0.985 . . . . 0.0 108.601 -178.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 9' ' ' ARG . 4.2 mt -81.98 -36.22 28.11 Favored 'General case' 0 N--CA 1.417 -2.112 0 CA-C-N 114.354 -1.294 . . . . 0.0 109.19 -175.309 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -71.26 130.13 40.65 Favored 'General case' 0 CA--C 1.504 -0.821 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -128.45 149.19 50.67 Favored 'General case' 0 CA--C 1.496 -1.108 0 N-CA-C 107.024 -1.472 . . . . 0.0 107.024 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -93.31 -11.58 32.09 Favored 'General case' 0 CA--C 1.494 -1.202 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt . . . . . 0 C--O 1.262 1.721 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 . . . . . 0 N--CA 1.489 1.497 0 CA-C-O 121.065 0.459 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 66.6 mtt -129.82 149.55 51.51 Favored 'General case' 0 CA--C 1.491 -1.305 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.42 ' O ' ' HG2' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -137.04 65.25 1.51 Allowed 'General case' 0 CA--C 1.465 -2.297 0 CA-C-O 123.28 1.514 . . . . 0.0 106.935 -179.562 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.436 HD23 ' CE1' ' A' ' 7' ' ' PHE . 64.6 mt -93.19 73.66 4.63 Favored 'General case' 0 N--CA 1.408 -2.563 0 CA-C-N 113.444 -1.707 . . . . 0.0 109.423 -175.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.401 ' HA ' ' CD1' ' A' ' 8' ' ' PHE . 24.2 p . . . . . 0 CA--C 1.479 -1.785 0 CA-C-N 111.456 -2.611 . . . . 0.0 105.681 176.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.639 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 6.5 m-85 . . . . . 0 N--CA 1.394 -3.251 0 CA-C-O 121.082 0.468 . . . . 0.0 109.843 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.639 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 30.4 m-85 -101.11 35.87 2.12 Favored 'General case' 0 CA--C 1.455 -2.689 0 CA-C-O 125.113 2.387 . . . . 0.0 105.937 -176.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.576 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.7 OUTLIER -153.92 -20.75 0.14 Allowed 'General case' 0 N--CA 1.408 -2.568 1 CA-C-N 108.167 -4.106 . . . . 0.0 106.512 175.924 . . . . . . . . 4 4 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.74 -178.98 7.04 Favored 'General case' 0 C--N 1.383 2.052 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -178.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.517 ' HB2' HD11 ' A' ' 12' ' ' ILE . 60.4 m-85 73.78 -71.55 0.13 Allowed 'General case' 0 C--N 1.357 0.91 0 CA-C-O 121.099 0.476 . . . . 0.0 109.855 177.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.517 HD11 ' HB2' ' A' ' 11' ' ' PHE . 3.9 mp -82.52 -44.05 19.22 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.763 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 -179.261 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.42 HD11 ' HA ' ' A' ' 9' ' ' ARG . 5.9 mt -82.07 -53.53 6.03 Favored 'General case' 0 N--CA 1.419 -2.018 0 CA-C-N 114.924 -1.034 . . . . 0.0 109.203 -175.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -107.88 115.61 30.45 Favored 'General case' 0 CA--C 1.498 -1.02 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 -80.98 152.85 27.78 Favored 'General case' 0 CA--C 1.498 -1.035 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.2 -20.64 61.54 Favored 'General case' 0 CA--C 1.5 -0.96 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.485 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.261 1.708 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 179.852 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 120.759 0.314 . . . . 0.0 110.64 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 67.4 mtt -134.2 162.59 31.72 Favored 'General case' 0 CA--C 1.481 -1.704 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.583 ' HG2' ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -93.47 -78.23 0.43 Allowed 'General case' 0 N--CA 1.423 -1.801 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 -179.271 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.583 ' H ' ' HG2' ' A' ' 3' ' ' ARG . 17.2 mt 65.4 39.03 5.41 Favored 'General case' 0 CA--C 1.482 -1.673 0 CA-C-O 123.165 1.459 . . . . 0.0 109.223 176.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.42 ' C ' ' H ' ' A' ' 8' ' ' PHE . 22.7 p . . . . . 0 CA--C 1.475 -1.907 0 N-CA-C 104.121 -2.548 . . . . 0.0 104.121 174.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.671 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 3.3 m-85 . . . . . 0 N--CA 1.39 -3.455 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.671 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 33.2 m-85 -104.94 41.77 1.3 Allowed 'General case' 0 CA--C 1.463 -2.367 0 CA-C-O 125.085 2.374 . . . . 0.0 106.678 -175.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.46 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -161.97 -19.27 0.04 OUTLIER 'General case' 0 N--CA 1.424 -1.759 1 CA-C-N 108.309 -4.041 . . . . 0.0 106.585 176.204 . . . . . . . . 4 4 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.93 -166.69 2.61 Favored 'General case' 0 C--N 1.37 1.46 0 N-CA-C 106.742 -1.577 . . . . 0.0 106.742 -178.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.502 ' CD1' ' CD1' ' A' ' 7' ' ' PHE . 96.7 m-85 65.77 -84.76 0.03 OUTLIER 'General case' 0 C--N 1.356 0.877 0 CA-C-O 121.524 0.678 . . . . 0.0 109.848 178.006 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.49 ' H ' ' CD1' ' A' ' 12' ' ' ILE . 4.4 mp -73.05 -41.75 59.34 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.723 0 CA-C-N 115.082 -0.963 . . . . 0.0 108.901 -178.181 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 9' ' ' ARG . 6.9 mt -83.45 -35.33 25.05 Favored 'General case' 0 N--CA 1.419 -2.022 0 CA-C-N 115.014 -0.994 . . . . 0.0 108.65 -175.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -62.99 -45.22 93.45 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.74 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 91.6 mtm180 -137.77 147.63 44.83 Favored 'General case' 0 CA--C 1.494 -1.194 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.5 mmtt -96.35 -3.74 43.24 Favored 'General case' 0 CA--C 1.5 -0.96 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 -178.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt . . . . . 0 C--O 1.262 1.734 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -179.928 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 34.0 tp10 . . . . . 0 N--CA 1.488 1.457 0 CA-C-O 121.266 0.555 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 99.4 mtp -132.96 151.2 52.09 Favored 'General case' 0 CA--C 1.485 -1.52 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.98 93.52 2.56 Favored 'General case' 0 CA--C 1.465 -2.293 0 CA-C-O 123.013 1.387 . . . . 0.0 107.711 179.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.486 HD21 ' CE1' ' A' ' 7' ' ' PHE . 68.5 mt -131.74 73.05 1.51 Allowed 'General case' 0 CA--C 1.471 -2.081 0 CA-C-N 113.614 -1.63 . . . . 0.0 107.383 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.417 ' HA ' ' CD1' ' A' ' 8' ' ' PHE . 33.8 p . . . . . 0 CA--C 1.48 -1.741 0 CA-C-N 112.11 -2.314 . . . . 0.0 106.554 177.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.644 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 9.2 m-85 . . . . . 0 N--CA 1.395 -3.179 0 CA-C-O 121.085 0.469 . . . . 0.0 110.095 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.644 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 32.6 m-85 -101.24 35.53 2.23 Favored 'General case' 0 CA--C 1.456 -2.646 0 CA-C-O 125.201 2.429 . . . . 0.0 105.78 -176.527 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.592 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -153.83 -20.53 0.14 Allowed 'General case' 0 N--CA 1.408 -2.538 1 CA-C-N 108.066 -4.152 . . . . 0.0 106.535 175.963 . . . . . . . . 4 4 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.99 -179.12 7.2 Favored 'General case' 0 C--N 1.383 2.029 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 -178.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.537 ' HB2' HD11 ' A' ' 12' ' ' ILE . 61.3 m-85 73.92 -70.18 0.16 Allowed 'General case' 0 C--N 1.356 0.878 0 CA-C-O 121.145 0.498 . . . . 0.0 109.844 177.62 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.537 HD11 ' HB2' ' A' ' 11' ' ' PHE . 3.7 mp -84.7 -42.29 16.56 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.743 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.151 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 9' ' ' ARG . 6.0 mt -83.69 -54.23 5.07 Favored 'General case' 0 N--CA 1.42 -1.951 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.964 -175.237 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -127.67 127.59 44.01 Favored 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 -178.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -149.44 161.04 42.88 Favored 'General case' 0 CA--C 1.49 -1.342 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -118.45 80.36 1.52 Allowed 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 179.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 88.1 tttt . . . . . 0 C--O 1.262 1.75 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 179.739 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 120.802 0.334 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 99.4 mtp -130.9 150.2 52.17 Favored 'General case' 0 CA--C 1.486 -1.504 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.05 95.11 2.75 Favored 'General case' 0 CA--C 1.465 -2.293 0 CA-C-O 123.1 1.428 . . . . 0.0 107.507 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.499 HD21 ' CD1' ' A' ' 7' ' ' PHE . 65.7 mt -132.23 72.99 1.51 Allowed 'General case' 0 CA--C 1.471 -2.06 0 CA-C-N 113.542 -1.663 . . . . 0.0 107.464 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.436 ' HA ' ' CD1' ' A' ' 8' ' ' PHE . 24.7 p . . . . . 0 CA--C 1.48 -1.747 0 CA-C-N 112.034 -2.348 . . . . 0.0 105.971 177.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.671 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 9.7 m-85 . . . . . 0 N--CA 1.387 -3.592 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.671 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 27.3 m-85 -103.99 40.57 1.42 Allowed 'General case' 0 CA--C 1.463 -2.391 0 CA-C-O 125.223 2.439 . . . . 0.0 105.867 -176.127 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.52 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -159.8 -22.97 0.07 Allowed 'General case' 0 N--CA 1.417 -2.088 1 CA-C-N 108.082 -4.145 . . . . 0.0 105.967 176.082 . . . . . . . . 4 4 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.87 -175.92 5.32 Favored 'General case' 0 C--N 1.379 1.876 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -178.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.475 ' HB2' HD12 ' A' ' 12' ' ' ILE . 49.7 m-85 72.06 -69.6 0.18 Allowed 'General case' 0 C--N 1.359 0.984 0 CA-C-O 120.93 0.395 . . . . 0.0 110.032 178.201 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.475 HD12 ' HB2' ' A' ' 11' ' ' PHE . 3.8 mp -85.86 -46.3 16.92 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.787 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 9' ' ' ARG . 4.6 mt -81.74 -47.42 12.93 Favored 'General case' 0 N--CA 1.421 -1.915 0 CA-C-N 114.868 -1.06 . . . . 0.0 108.857 -176.14 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 60.92 50.61 5.09 Favored 'General case' 0 CA--C 1.506 -0.747 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -79.56 152.92 29.85 Favored 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -88.77 -10.45 48.22 Favored 'General case' 0 CA--C 1.495 -1.152 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.6 mttt . . . . . 0 C--O 1.262 1.727 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 179.837 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 N--CA 1.489 1.497 0 CA-C-O 120.744 0.307 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 14.9 mmt -133.78 156.55 47.8 Favored 'General case' 0 CA--C 1.486 -1.512 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.15 93.28 2.52 Favored 'General case' 0 CA--C 1.468 -2.184 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.604 ' O ' ' HB2' ' A' ' 7' ' ' PHE . 18.0 mt -123.37 -17.21 6.62 Favored 'General case' 0 N--CA 1.422 -1.837 0 CA-C-N 113.841 -1.527 . . . . 0.0 107.354 -179.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.2 p -80.28 2.54 24.19 Favored 'General case' 0 CA--C 1.48 -1.715 0 N-CA-C 106.225 -1.768 . . . . 0.0 106.225 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' DAB . . . . . 0.563 ' HA ' ' HD2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.633 ' C ' ' H ' ' A' ' 9' ' ' ARG . 5.3 m-85 -66.52 -20.87 66.14 Favored 'General case' 0 N--CA 1.4 -2.945 0 CA-C-N 112.1 -2.318 . . . . 0.0 107.49 -178.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' A' ' 4' ' ' LEU . 12.4 m-85 -96.3 36.95 1.29 Allowed 'General case' 0 CA--C 1.462 -2.437 0 CA-C-O 124.951 2.31 . . . . 0.0 105.97 -178.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.633 ' H ' ' C ' ' A' ' 7' ' ' PHE . 1.1 mtp180 -153.19 -21.98 0.15 Allowed 'General case' 0 N--CA 1.408 -2.533 0 CA-C-N 108.433 -3.985 . . . . 0.0 106.411 175.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.624 ' HG2' ' CD1' ' A' ' 11' ' ' PHE . 3.6 pm0 -151.6 174.21 13.73 Favored 'General case' 0 C--N 1.379 1.88 0 C-N-CA 119.789 -0.764 . . . . 0.0 109.377 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.624 ' CD1' ' HG2' ' A' ' 10' ' ' GLN . 71.9 m-85 80.87 -78.16 0.03 OUTLIER 'General case' 0 CA--C 1.499 -1.007 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 178.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.478 ' CD1' ' HB3' ' A' ' 7' ' ' PHE . 4.6 mp -75.18 -42.56 44.52 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.812 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.9 mt -83.47 -52.66 6.31 Favored 'General case' 0 N--CA 1.417 -2.079 0 CA-C-N 114.608 -1.178 . . . . 0.0 110.267 -174.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -113.9 132.2 56.01 Favored 'General case' 0 CA--C 1.497 -1.082 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.9 ptt180 -151.84 163.5 39.08 Favored 'General case' 0 CA--C 1.494 -1.184 0 N-CA-C 106.873 -1.528 . . . . 0.0 106.873 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -97.63 -7.2 31.59 Favored 'General case' 0 CA--C 1.497 -1.094 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 -177.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--O 1.262 1.751 0 CA-C-O 117.872 -1.061 . . . . 0.0 108.246 -179.649 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 120.614 0.245 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 63.4 mtt -132.1 151.34 51.82 Favored 'General case' 0 CA--C 1.488 -1.405 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.09 91.67 2.59 Favored 'General case' 0 CA--C 1.467 -2.23 0 N-CA-C 106.473 -1.677 . . . . 0.0 106.473 179.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.603 ' O ' ' HB2' ' A' ' 7' ' ' PHE . 16.7 mt -121.05 -12.44 8.73 Favored 'General case' 0 N--CA 1.421 -1.904 0 CA-C-N 114.017 -1.447 . . . . 0.0 108.102 -178.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.5 p -76.55 -4.83 44.89 Favored 'General case' 0 CA--C 1.484 -1.579 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' DAB . . . . . 0.526 ' HA ' ' HD2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.637 ' C ' ' H ' ' A' ' 9' ' ' ARG . 5.0 m-85 -66.57 -18.96 65.65 Favored 'General case' 0 N--CA 1.397 -3.086 0 CA-C-N 112.157 -2.292 . . . . 0.0 107.993 -177.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.586 ' CE1' ' O ' ' A' ' 4' ' ' LEU . 14.6 m-85 -97.21 36.62 1.42 Allowed 'General case' 0 CA--C 1.46 -2.483 0 CA-C-O 125.022 2.344 . . . . 0.0 106.28 -178.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.637 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -155.51 -19.56 0.11 Allowed 'General case' 0 N--CA 1.409 -2.475 1 CA-C-N 108.342 -4.026 . . . . 0.0 106.507 175.43 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.479 ' NE2' ' C ' ' A' ' 6' ' ' DAB . 0.0 OUTLIER -148.48 178.59 8.48 Favored 'General case' 0 C--N 1.382 1.979 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -178.297 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.48 ' HB2' HD12 ' A' ' 12' ' ' ILE . 78.2 m-85 72.59 -76.33 0.07 Allowed 'General case' 0 CA--C 1.502 -0.887 0 CA-C-O 121.119 0.485 . . . . 0.0 110.398 177.233 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.566 ' CD1' ' HB3' ' A' ' 7' ' ' PHE . 4.1 mp -75.84 -43.64 39.64 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.831 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -178.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.425 HD11 ' HA ' ' A' ' 9' ' ' ARG . 4.3 mt -83.16 -64.58 1.14 Allowed 'General case' 0 N--CA 1.415 -2.201 0 CA-C-N 114.389 -1.278 . . . . 0.0 109.876 -174.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.8 mm100 58.95 45.32 15.21 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.0 mmt85 -73.78 135.61 43.54 Favored 'General case' 0 CA--C 1.499 -1.003 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -94.37 -11.38 30.05 Favored 'General case' 0 CA--C 1.493 -1.243 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.3 mttt . . . . . 0 C--O 1.262 1.735 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 179.763 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 120.776 0.322 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 66.7 mtt -131.33 151.49 51.46 Favored 'General case' 0 CA--C 1.487 -1.458 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.42 88.09 2.18 Favored 'General case' 0 CA--C 1.467 -2.248 0 CA-C-O 122.977 1.37 . . . . 0.0 107.518 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.607 ' O ' ' HB2' ' A' ' 7' ' ' PHE . 23.0 mt -117.47 -16.03 10.23 Favored 'General case' 0 N--CA 1.421 -1.895 0 CA-C-N 113.926 -1.488 . . . . 0.0 107.563 -179.08 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.5 p -77.33 -2.57 35.6 Favored 'General case' 0 CA--C 1.482 -1.643 0 O-C-N 119.978 -1.701 . . . . 0.0 106.563 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' DAB . . . . . 0.533 ' HA ' ' HD2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.638 ' C ' ' H ' ' A' ' 9' ' ' ARG . 5.3 m-85 -66.21 -19.38 65.81 Favored 'General case' 0 N--CA 1.399 -3.02 0 CA-C-N 112.234 -2.257 . . . . 0.0 107.83 -178.135 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.601 ' CE1' ' O ' ' A' ' 4' ' ' LEU . 13.7 m-85 -97.18 37.27 1.34 Allowed 'General case' 0 CA--C 1.461 -2.444 0 CA-C-O 125.008 2.337 . . . . 0.0 106.28 -178.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.638 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -156.23 -18.74 0.1 Allowed 'General case' 0 N--CA 1.41 -2.438 1 CA-C-N 108.352 -4.022 . . . . 0.0 106.459 175.17 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.479 ' NE2' ' C ' ' A' ' 6' ' ' DAB . 0.0 OUTLIER -148.86 177.93 9.12 Favored 'General case' 0 C--N 1.382 2.013 0 O-C-N 121.545 -0.722 . . . . 0.0 109.092 -178.401 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.481 ' HB2' HD11 ' A' ' 12' ' ' ILE . 81.8 m-85 73.22 -76.63 0.06 Allowed 'General case' 0 CA--C 1.501 -0.917 0 CA-C-O 121.157 0.503 . . . . 0.0 110.212 177.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.57 ' CD1' ' HB3' ' A' ' 7' ' ' PHE . 4.2 mp -75.73 -42.77 40.78 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.833 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 -178.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 9' ' ' ARG . 4.5 mt -84.77 -52.88 5.73 Favored 'General case' 0 N--CA 1.416 -2.14 0 CA-C-N 114.627 -1.17 . . . . 0.0 110.093 -174.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -108.3 135.49 49.53 Favored 'General case' 0 CA--C 1.497 -1.083 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -127.25 147.52 50.22 Favored 'General case' 0 CA--C 1.497 -1.095 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -95.93 -9.73 30.5 Favored 'General case' 0 CA--C 1.493 -1.229 0 N-CA-C 107.281 -1.378 . . . . 0.0 107.281 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt . . . . . 0 C--O 1.261 1.708 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.94 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 120.77 0.319 . . . . 0.0 110.696 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 79.2 mtm -130.72 150.54 51.85 Favored 'General case' 0 CA--C 1.486 -1.5 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.91 93.17 2.52 Favored 'General case' 0 CA--C 1.465 -2.319 0 CA-C-O 122.971 1.367 . . . . 0.0 107.46 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.484 HD21 ' CD1' ' A' ' 7' ' ' PHE . 67.9 mt -130.39 73.02 1.51 Allowed 'General case' 0 CA--C 1.472 -2.056 0 CA-C-N 113.665 -1.607 . . . . 0.0 107.566 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.424 ' HA ' ' CD1' ' A' ' 8' ' ' PHE . 22.7 p -151.83 -32.05 0.15 Allowed 'General case' 0 CA--C 1.479 -1.753 0 CA-C-N 112.092 -2.322 . . . . 0.0 105.809 177.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' DAB . . . . . 0.5 ' C ' ' HG2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.652 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 7.6 m-85 -67.63 -20.92 65.39 Favored 'General case' 0 N--CA 1.387 -3.597 0 CA-C-N 111.576 -2.556 . . . . 0.0 109.135 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.652 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 30.2 m-85 -103.97 40.5 1.44 Allowed 'General case' 0 CA--C 1.463 -2.388 0 CA-C-O 125.223 2.44 . . . . 0.0 105.711 -176.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.55 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -160.57 -19.64 0.06 Allowed 'General case' 0 N--CA 1.417 -2.122 1 CA-C-N 107.932 -4.213 . . . . 0.0 106.028 176.183 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 6' ' ' DAB . 0.0 OUTLIER -152.32 179.93 8.1 Favored 'General case' 0 C--N 1.382 2.006 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 -179.181 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.525 ' HB2' HD13 ' A' ' 12' ' ' ILE . 58.5 m-85 73.82 -70.39 0.16 Allowed 'General case' 0 C--N 1.357 0.931 0 CA-C-O 121.07 0.462 . . . . 0.0 110.229 177.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.525 HD13 ' HB2' ' A' ' 11' ' ' PHE . 3.9 mp -83.77 -42.97 17.72 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.754 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -178.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.455 HD11 ' HA ' ' A' ' 9' ' ' ARG . 7.1 mt -80.9 -52.21 7.72 Favored 'General case' 0 N--CA 1.42 -1.936 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.148 -174.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -154.2 157.82 39.37 Favored 'General case' 0 CA--C 1.497 -1.074 0 C-N-CA 119.353 -0.939 . . . . 0.0 108.585 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -151.41 159.51 44.2 Favored 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.35 -15.62 39.94 Favored 'General case' 0 CA--C 1.499 -1.013 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -179.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt . . . . . 0 C--O 1.261 1.696 0 CA-C-O 117.904 -1.046 . . . . 0.0 108.432 -179.395 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 120.69 0.281 . . . . 0.0 110.748 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 65.8 mtt -131.39 151.31 51.64 Favored 'General case' 0 CA--C 1.485 -1.545 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.4 92.76 2.67 Favored 'General case' 0 CA--C 1.465 -2.322 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.489 HD23 ' CD1' ' A' ' 7' ' ' PHE . 68.8 mt -130.23 73.52 1.54 Allowed 'General case' 0 N--CA 1.418 -2.065 0 CA-C-N 113.629 -1.623 . . . . 0.0 107.614 -179.3 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.428 ' HA ' ' CD1' ' A' ' 8' ' ' PHE . 22.4 p -152.37 -32.18 0.14 Allowed 'General case' 0 CA--C 1.479 -1.766 0 CA-C-N 111.974 -2.376 . . . . 0.0 105.757 177.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' DAB . . . . . 0.507 ' C ' ' HG2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.654 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 7.8 m-85 -67.72 -21.01 65.32 Favored 'General case' 0 N--CA 1.387 -3.603 0 CA-C-N 111.608 -2.542 . . . . 0.0 109.107 -179.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.654 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 29.4 m-85 -103.74 40.41 1.44 Allowed 'General case' 0 CA--C 1.463 -2.393 0 CA-C-O 125.282 2.468 . . . . 0.0 105.786 -176.322 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.526 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -160.56 -19.77 0.06 Allowed 'General case' 0 N--CA 1.417 -2.1 1 CA-C-N 107.908 -4.223 . . . . 0.0 106.037 176.207 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 6' ' ' DAB . 0.0 OUTLIER -151.95 179.86 8.09 Favored 'General case' 0 C--N 1.382 1.983 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 -179.178 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.504 ' HB2' HD13 ' A' ' 12' ' ' ILE . 57.4 m-85 73.72 -72.34 0.12 Allowed 'General case' 0 CA--C 1.501 -0.911 0 CA-C-O 121.133 0.492 . . . . 0.0 109.914 177.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.504 HD13 ' HB2' ' A' ' 11' ' ' PHE . 3.9 mp -81.22 -42.21 19.68 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.754 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 -179.003 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 9' ' ' ARG . 6.1 mt -84.29 -51.62 6.85 Favored 'General case' 0 N--CA 1.418 -2.04 0 CA-C-N 115.076 -0.966 . . . . 0.0 110.242 -174.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -140.76 134.22 29.93 Favored 'General case' 0 CA--C 1.499 -0.983 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -141.28 158.51 43.79 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.88 -14.86 35.84 Favored 'General case' 0 CA--C 1.499 -0.991 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -179.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt . . . . . 0 C--O 1.261 1.658 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 -179.441 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 120.786 0.326 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 79.5 mtm -131.99 150.68 52.09 Favored 'General case' 0 CA--C 1.486 -1.498 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.0 89.5 2.31 Favored 'General case' 0 CA--C 1.468 -2.211 0 CA-C-O 123.032 1.396 . . . . 0.0 107.483 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.602 ' O ' ' CE1' ' A' ' 8' ' ' PHE . 21.6 mt -117.67 -16.41 10.07 Favored 'General case' 0 N--CA 1.422 -1.854 0 CA-C-N 113.681 -1.6 . . . . 0.0 107.321 -179.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.6 p -79.85 1.51 26.72 Favored 'General case' 0 CA--C 1.482 -1.653 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' DAB . . . . . 0.557 ' HA ' ' HD2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.611 ' C ' ' H ' ' A' ' 9' ' ' ARG . 4.9 m-85 -66.42 -19.79 65.89 Favored 'General case' 0 N--CA 1.398 -3.042 0 CA-C-N 112.199 -2.273 . . . . 0.0 107.871 -178.016 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' A' ' 4' ' ' LEU . 13.4 m-85 -97.08 37.12 1.34 Allowed 'General case' 0 CA--C 1.46 -2.512 0 CA-C-O 124.962 2.315 . . . . 0.0 106.355 -178.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.611 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -155.87 -19.01 0.1 Allowed 'General case' 0 N--CA 1.41 -2.432 0 CA-C-N 108.424 -3.989 . . . . 0.0 106.466 175.321 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.503 ' NE2' ' C ' ' A' ' 6' ' ' DAB . 0.0 OUTLIER -148.55 178.8 8.31 Favored 'General case' 0 C--N 1.382 1.995 0 O-C-N 121.48 -0.762 . . . . 0.0 109.01 -178.431 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.477 ' CD1' ' CD1' ' A' ' 7' ' ' PHE . 77.4 m-85 72.13 -78.4 0.05 OUTLIER 'General case' 0 CA--C 1.503 -0.858 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.232 177.248 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.566 ' CD1' ' HB3' ' A' ' 7' ' ' PHE . 4.2 mp -73.37 -43.18 56.72 Favored 'Isoleucine or valine' 0 CA--C 1.473 -2.014 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 -178.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.442 HD13 ' HA ' ' A' ' 9' ' ' ARG . 4.1 mt -83.36 -82.12 0.16 Allowed 'General case' 0 N--CA 1.412 -2.374 0 CA-C-N 114.376 -1.284 . . . . 0.0 108.7 -175.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.412 ' H ' ' HB2' ' A' ' 13' ' ' LEU . 50.4 tt0 -177.15 -88.98 0.0 OUTLIER 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -159.93 166.21 30.58 Favored 'General case' 0 N--CA 1.436 -1.141 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -93.03 -10.4 36.35 Favored 'General case' 0 CA--C 1.495 -1.143 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 -178.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt . . . . . 0 C--O 1.261 1.688 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 -179.548 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 120.725 0.298 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 67.4 mtt -130.05 151.09 50.97 Favored 'General case' 0 CA--C 1.485 -1.539 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.77 92.72 2.77 Favored 'General case' 0 CA--C 1.464 -2.345 0 CA-C-O 122.953 1.359 . . . . 0.0 107.475 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.486 HD22 ' CD1' ' A' ' 7' ' ' PHE . 67.5 mt -130.69 73.11 1.52 Allowed 'General case' 0 N--CA 1.416 -2.129 0 CA-C-N 113.651 -1.613 . . . . 0.0 107.472 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.42 ' HA ' ' CD1' ' A' ' 8' ' ' PHE . 23.1 p -152.12 -31.9 0.15 Allowed 'General case' 0 CA--C 1.478 -1.804 0 CA-C-N 112.041 -2.345 . . . . 0.0 105.838 177.335 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' DAB . . . . . 0.505 ' C ' ' HG2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.656 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 8.0 m-85 -67.43 -21.37 65.57 Favored 'General case' 0 N--CA 1.387 -3.592 0 CA-C-N 111.506 -2.588 . . . . 0.0 109.174 -179.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.656 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 29.1 m-85 -103.61 40.46 1.42 Allowed 'General case' 0 CA--C 1.462 -2.405 0 CA-C-O 125.27 2.462 . . . . 0.0 105.882 -176.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.546 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -160.29 -20.45 0.06 Allowed 'General case' 0 N--CA 1.417 -2.115 1 CA-C-N 107.952 -4.204 . . . . 0.0 105.98 176.213 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.421 ' H ' ' H ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -151.9 -179.37 7.41 Favored 'General case' 0 C--N 1.381 1.966 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 -179.025 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.512 ' HB2' HD12 ' A' ' 12' ' ' ILE . 55.4 m-85 73.42 -72.15 0.12 Allowed 'General case' 0 C--N 1.357 0.932 0 CA-C-O 121.156 0.503 . . . . 0.0 109.968 177.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.512 HD12 ' HB2' ' A' ' 11' ' ' PHE . 3.9 mp -81.71 -44.02 20.08 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.822 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 -179.151 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 9' ' ' ARG . 5.4 mt -82.97 -50.93 8.05 Favored 'General case' 0 N--CA 1.419 -2.021 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.148 -175.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -97.1 118.25 33.11 Favored 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 84.4 mtt85 -77.83 148.95 34.46 Favored 'General case' 0 N--CA 1.439 -0.98 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -89.17 -13.96 37.17 Favored 'General case' 0 CA--C 1.495 -1.135 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt . . . . . 0 C--O 1.262 1.757 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 120.863 0.364 . . . . 0.0 110.743 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -156.14 163.89 39.07 Favored 'General case' 0 CA--C 1.484 -1.562 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.76 81.52 1.22 Allowed 'General case' 0 CA--C 1.466 -2.284 0 CA-C-O 123.053 1.406 . . . . 0.0 107.44 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.611 ' O ' ' CE1' ' A' ' 8' ' ' PHE . 23.2 mt -112.66 -16.36 12.82 Favored 'General case' 0 N--CA 1.42 -1.954 0 CA-C-N 113.702 -1.59 . . . . 0.0 107.582 -178.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.6 p -78.06 -1.49 32.6 Favored 'General case' 0 CA--C 1.483 -1.61 0 O-C-N 120.012 -1.68 . . . . 0.0 106.483 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' DAB . . . . . 0.532 ' HA ' ' HD2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.627 ' C ' ' H ' ' A' ' 9' ' ' ARG . 4.8 m-85 -66.12 -19.59 65.89 Favored 'General case' 0 N--CA 1.399 -2.999 0 CA-C-N 112.308 -2.224 . . . . 0.0 107.802 -178.202 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.611 ' CE1' ' O ' ' A' ' 4' ' ' LEU . 13.8 m-85 -97.08 37.43 1.32 Allowed 'General case' 0 CA--C 1.462 -2.426 0 CA-C-O 124.976 2.322 . . . . 0.0 106.2 -178.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.627 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -156.24 -19.55 0.1 Allowed 'General case' 0 N--CA 1.41 -2.461 1 CA-C-N 108.347 -4.024 . . . . 0.0 106.394 175.286 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.48 ' NE2' ' C ' ' A' ' 6' ' ' DAB . 0.0 OUTLIER -148.08 178.69 8.33 Favored 'General case' 0 C--N 1.382 1.993 0 CA-C-O 121.589 0.709 . . . . 0.0 109.14 -178.254 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.5 ' CD1' ' CD1' ' A' ' 7' ' ' PHE . 83.5 m-85 72.71 -77.02 0.06 Allowed 'General case' 0 CA--C 1.502 -0.876 0 CA-C-O 121.259 0.552 . . . . 0.0 110.156 177.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 7' ' ' PHE . 4.3 mp -75.31 -42.2 43.56 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.842 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 -178.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 9' ' ' ARG . 4.6 mt -84.89 -52.0 6.32 Favored 'General case' 0 N--CA 1.416 -2.127 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.277 -174.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -114.04 140.45 48.44 Favored 'General case' 0 CA--C 1.497 -1.085 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -179.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.9 ptp85 -148.97 159.85 43.83 Favored 'General case' 0 N--CA 1.437 -1.088 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.68 -15.19 37.85 Favored 'General case' 0 CA--C 1.499 -0.989 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 -179.233 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt . . . . . 0 C--O 1.261 1.667 0 CA-C-O 117.901 -1.047 . . . . 0.0 108.545 -179.333 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 120.832 0.348 . . . . 0.0 110.789 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 79.3 mtm -133.37 150.87 51.81 Favored 'General case' 0 CA--C 1.483 -1.599 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.0 109.83 11.55 Favored 'General case' 0 CA--C 1.468 -2.178 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 177.2 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.51 HD23 ' CD1' ' A' ' 7' ' ' PHE . 59.6 mt -132.27 69.83 1.47 Allowed 'General case' 0 N--CA 1.418 -2.061 0 CA-C-O 123.402 1.572 . . . . 0.0 107.987 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.432 ' HA ' ' CD1' ' A' ' 8' ' ' PHE . 19.2 p -154.16 -31.65 0.11 Allowed 'General case' 0 CA--C 1.478 -1.814 0 CA-C-N 111.912 -2.403 . . . . 0.0 105.784 176.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' DAB . . . . . 0.511 ' C ' ' HG2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.638 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 6.7 m-85 -68.17 -20.45 64.87 Favored 'General case' 0 N--CA 1.388 -3.545 0 CA-C-N 111.385 -2.643 . . . . 0.0 108.837 -179.156 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.638 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 29.4 m-85 -103.1 39.3 1.58 Allowed 'General case' 0 CA--C 1.462 -2.414 0 CA-C-O 125.205 2.431 . . . . 0.0 105.641 -176.506 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.536 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -157.62 -18.91 0.08 Allowed 'General case' 0 N--CA 1.416 -2.15 1 CA-C-N 108.032 -4.167 . . . . 0.0 105.759 175.803 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.573 ' HG2' ' CD1' ' A' ' 11' ' ' PHE . 3.6 pm0 -155.61 174.43 15.29 Favored 'General case' 0 C--N 1.38 1.924 0 O-C-N 121.378 -0.826 . . . . 0.0 109.224 178.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.573 ' CD1' ' HG2' ' A' ' 10' ' ' GLN . 43.0 m-85 80.35 -77.83 0.03 OUTLIER 'General case' 0 CA--C 1.499 -0.985 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 178.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.418 HD11 ' HB2' ' A' ' 11' ' ' PHE . 4.4 mp -74.7 -43.65 47.11 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.907 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 -179.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 9' ' ' ARG . 6.3 mt -80.79 -77.26 0.21 Allowed 'General case' 0 N--CA 1.416 -2.139 0 CA-C-N 114.769 -1.105 . . . . 0.0 108.836 -175.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -175.2 -102.16 0.0 OUTLIER 'General case' 0 CA--C 1.505 -0.753 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 96.1 mtm-85 -139.13 159.94 40.97 Favored 'General case' 0 CA--C 1.496 -1.128 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.15 -17.58 42.45 Favored 'General case' 0 CA--C 1.497 -1.075 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt . . . . . 0 C--O 1.261 1.663 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 -179.755 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 120.771 0.32 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 67.3 mtt -130.34 151.94 50.29 Favored 'General case' 0 CA--C 1.485 -1.553 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.35 93.58 3.0 Favored 'General case' 0 CA--C 1.465 -2.317 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 179.658 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.496 HD21 ' CD1' ' A' ' 7' ' ' PHE . 68.6 mt -130.63 73.05 1.52 Allowed 'General case' 0 CA--C 1.472 -2.037 0 CA-C-N 113.772 -1.558 . . . . 0.0 107.679 -179.329 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.428 ' HA ' ' CD1' ' A' ' 8' ' ' PHE . 23.2 p -155.99 -24.14 0.1 Allowed 'General case' 0 CA--C 1.479 -1.774 0 CA-C-N 112.167 -2.288 . . . . 0.0 106.481 177.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' DAB . . . . . 0.498 ' HA ' ' HD2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.62 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 7.6 m-85 -64.47 -21.22 66.6 Favored 'General case' 0 N--CA 1.395 -3.2 0 CA-C-N 110.599 -3.0 . . . . 0.0 109.702 -177.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.62 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 31.7 m-85 -100.64 35.8 2.07 Favored 'General case' 0 CA--C 1.456 -2.671 0 CA-C-O 125.173 2.416 . . . . 0.0 105.501 -176.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.606 ' H ' ' C ' ' A' ' 7' ' ' PHE . 1.6 mtp180 -151.4 -21.05 0.2 Allowed 'General case' 0 N--CA 1.406 -2.626 1 CA-C-N 108.08 -4.145 . . . . 0.0 106.28 175.749 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.578 ' HG2' ' CD1' ' A' ' 11' ' ' PHE . 5.0 pm0 -155.25 175.82 13.36 Favored 'General case' 0 C--N 1.38 1.916 0 C-N-CA 119.855 -0.738 . . . . 0.0 109.227 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.578 ' CD1' ' HG2' ' A' ' 10' ' ' GLN . 52.8 m-85 80.92 -72.63 0.06 Allowed 'General case' 0 CA--C 1.499 -1.01 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 178.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.48 HD11 ' HB2' ' A' ' 11' ' ' PHE . 4.1 mp -81.66 -42.54 19.44 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.729 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 mt -82.32 -53.03 6.36 Favored 'General case' 0 N--CA 1.42 -1.936 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.951 -175.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -133.58 127.71 33.65 Favored 'General case' 0 CA--C 1.499 -0.997 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 -178.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.4 ptt85 -139.75 139.17 36.42 Favored 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -72.05 -39.86 68.76 Favored 'General case' 0 CA--C 1.491 -1.291 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.1 mtmt . . . . . 0 C--O 1.259 1.593 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -179.394 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 120.767 0.318 . . . . 0.0 110.747 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 67.2 mtt -131.51 151.35 51.65 Favored 'General case' 0 CA--C 1.482 -1.658 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.41 89.9 3.13 Favored 'General case' 0 CA--C 1.458 -2.576 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.525 HD21 ' CD1' ' A' ' 7' ' ' PHE . 69.5 mt -115.12 74.49 0.88 Allowed 'General case' 0 CA--C 1.472 -2.043 0 CA-C-N 112.929 -1.941 . . . . 0.0 108.872 -177.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.427 ' HA ' ' CD1' ' A' ' 8' ' ' PHE . 21.6 p -155.19 -32.86 0.1 Allowed 'General case' 0 CA--C 1.48 -1.712 0 CA-C-N 112.046 -2.343 . . . . 0.0 105.834 176.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' DAB . . . . . 0.496 ' C ' ' HG2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.647 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 9.7 m-85 -68.16 -20.41 64.88 Favored 'General case' 0 N--CA 1.387 -3.603 0 CA-C-N 111.604 -2.544 . . . . 0.0 109.125 -179.281 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.647 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 26.6 m-85 -104.34 39.81 1.59 Allowed 'General case' 0 CA--C 1.464 -2.349 0 CA-C-O 125.117 2.389 . . . . 0.0 105.704 -176.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.531 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -159.76 -21.26 0.07 Allowed 'General case' 0 N--CA 1.418 -2.069 1 CA-C-N 108.175 -4.102 . . . . 0.0 106.154 176.209 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 6' ' ' DAB . 0.0 OUTLIER -152.09 -174.34 4.84 Favored 'General case' 0 C--N 1.379 1.872 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 -179.235 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.454 ' HB2' HD11 ' A' ' 12' ' ' ILE . 56.6 m-85 70.89 -74.28 0.09 Allowed 'General case' 0 C--N 1.358 0.938 0 CA-C-O 120.969 0.414 . . . . 0.0 109.896 178.197 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.481 ' CD1' ' HB3' ' A' ' 7' ' ' PHE . 3.9 mp -80.82 -47.25 20.56 Favored 'Isoleucine or valine' 0 CA--C 1.476 -1.903 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 -179.242 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 9' ' ' ARG . 5.3 mt -78.91 -45.01 21.46 Favored 'General case' 0 N--CA 1.417 -2.091 0 CA-C-N 114.61 -1.177 . . . . 0.0 107.926 -176.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 78.93 -50.79 0.45 Allowed 'General case' 0 CA--C 1.504 -0.791 0 CA-C-N 115.215 -0.902 . . . . 0.0 108.981 179.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 95.9 mtm-85 -126.88 148.23 50.02 Favored 'General case' 0 CA--C 1.496 -1.111 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -93.87 -9.66 36.51 Favored 'General case' 0 CA--C 1.494 -1.202 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 87.9 tttt . . . . . 0 C--O 1.262 1.757 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 120.758 0.313 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 99.4 mtp -129.79 148.76 51.7 Favored 'General case' 0 CA--C 1.486 -1.492 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.9 95.32 2.67 Favored 'General case' 0 CA--C 1.468 -2.183 0 CA-C-O 123.151 1.453 . . . . 0.0 107.675 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.605 ' O ' ' CE1' ' A' ' 8' ' ' PHE . 18.2 mt -123.73 -17.32 6.42 Favored 'General case' 0 N--CA 1.423 -1.824 0 CA-C-N 113.722 -1.581 . . . . 0.0 107.289 179.35 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.1 p -79.56 1.67 25.08 Favored 'General case' 0 CA--C 1.483 -1.609 0 N-CA-C 106.334 -1.728 . . . . 0.0 106.334 -179.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' DAB . . . . . 0.566 ' HA ' ' HD2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.605 ' C ' ' H ' ' A' ' 9' ' ' ARG . 5.4 m-85 -66.56 -19.39 65.77 Favored 'General case' 0 N--CA 1.399 -2.996 0 CA-C-N 112.166 -2.288 . . . . 0.0 107.87 -178.066 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.605 ' CE1' ' O ' ' A' ' 4' ' ' LEU . 13.2 m-85 -97.4 36.86 1.41 Allowed 'General case' 0 CA--C 1.462 -2.434 0 CA-C-O 124.943 2.306 . . . . 0.0 106.224 -178.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.605 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -155.67 -19.64 0.11 Allowed 'General case' 0 N--CA 1.41 -2.443 0 CA-C-N 108.514 -3.948 . . . . 0.0 106.58 175.311 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.488 ' NE2' ' C ' ' A' ' 6' ' ' DAB . 0.0 OUTLIER -147.93 -178.4 6.26 Favored 'General case' 0 C--N 1.381 1.973 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 -178.464 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.482 ' CD1' ' CD1' ' A' ' 7' ' ' PHE . 79.9 m-85 70.4 -79.18 0.04 OUTLIER 'General case' 0 CA--C 1.503 -0.859 0 CA-C-O 121.014 0.435 . . . . 0.0 110.24 177.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.57 ' CD1' ' HB3' ' A' ' 7' ' ' PHE . 4.3 mp -73.21 -44.7 55.19 Favored 'Isoleucine or valine' 0 CA--C 1.474 -1.95 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 -178.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 9' ' ' ARG . 4.0 mt -83.23 -49.55 9.32 Favored 'General case' 0 N--CA 1.412 -2.353 0 CA-C-N 114.137 -1.392 . . . . 0.0 108.057 -176.265 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 76.51 -56.15 0.57 Allowed 'General case' 0 C--N 1.355 0.815 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.143 179.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.9 mmt180 -110.63 139.6 45.74 Favored 'General case' 0 CA--C 1.496 -1.11 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.96 -9.25 31.64 Favored 'General case' 0 CA--C 1.493 -1.244 0 N-CA-C 106.573 -1.639 . . . . 0.0 106.573 179.156 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 87.7 tttt . . . . . 0 C--O 1.262 1.715 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 -179.941 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 120.769 0.319 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 79.5 mtm -131.19 150.52 52.11 Favored 'General case' 0 CA--C 1.487 -1.459 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.81 88.73 2.26 Favored 'General case' 0 CA--C 1.467 -2.24 0 CA-C-O 122.973 1.368 . . . . 0.0 107.557 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.602 ' O ' ' CE1' ' A' ' 8' ' ' PHE . 21.8 mt -118.7 -16.59 9.37 Favored 'General case' 0 N--CA 1.421 -1.879 0 CA-C-N 113.728 -1.578 . . . . 0.0 107.326 -179.226 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.5 p -79.05 0.32 28.33 Favored 'General case' 0 CA--C 1.483 -1.605 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' DAB . . . . . 0.558 ' HA ' ' HD2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.648 ' C ' ' H ' ' A' ' 9' ' ' ARG . 4.9 m-85 -66.2 -19.59 65.87 Favored 'General case' 0 N--CA 1.398 -3.04 0 CA-C-N 112.223 -2.262 . . . . 0.0 107.895 -178.198 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' A' ' 4' ' ' LEU . 13.6 m-85 -97.1 37.15 1.34 Allowed 'General case' 0 CA--C 1.462 -2.424 0 CA-C-O 125.025 2.345 . . . . 0.0 106.236 -178.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.648 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -156.49 -17.51 0.1 Allowed 'General case' 0 N--CA 1.411 -2.406 1 CA-C-N 108.322 -4.035 . . . . 0.0 106.511 175.24 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.484 ' NE2' ' C ' ' A' ' 6' ' ' DAB . 0.0 OUTLIER -149.5 176.89 10.21 Favored 'General case' 0 C--N 1.383 2.032 0 CA-C-O 121.657 0.741 . . . . 0.0 109.104 -178.568 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.484 ' CE1' ' CE1' ' A' ' 7' ' ' PHE . 82.9 m-85 73.72 -77.76 0.05 Allowed 'General case' 0 CA--C 1.501 -0.921 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.171 177.195 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.549 ' CD1' ' HB3' ' A' ' 7' ' ' PHE . 4.3 mp -74.5 -42.83 49.23 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.843 0 CA-C-O 121.987 0.898 . . . . 0.0 108.822 -178.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.46 HD11 ' HA ' ' A' ' 9' ' ' ARG . 5.2 mt -81.82 -50.44 9.22 Favored 'General case' 0 N--CA 1.417 -2.12 0 CA-C-N 114.59 -1.186 . . . . 0.0 110.55 -174.255 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -149.08 151.81 35.09 Favored 'General case' 0 CA--C 1.498 -1.027 0 C-N-CA 119.03 -1.068 . . . . 0.0 108.865 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -76.76 148.97 36.35 Favored 'General case' 0 CA--C 1.5 -0.972 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.79 -22.03 60.9 Favored 'General case' 0 CA--C 1.501 -0.942 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp . . . . . 0 C--O 1.263 1.801 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 -179.935 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 120.721 0.296 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 99.2 mtp -131.56 152.15 51.01 Favored 'General case' 0 CA--C 1.483 -1.625 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.19 114.46 14.5 Favored 'General case' 0 CA--C 1.47 -2.135 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 177.457 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.516 HD21 ' CD1' ' A' ' 7' ' ' PHE . 64.5 mt -131.04 68.6 1.48 Allowed 'General case' 0 CA--C 1.472 -2.032 0 CA-C-O 123.391 1.567 . . . . 0.0 108.458 179.363 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.424 ' HA ' ' CD1' ' A' ' 8' ' ' PHE . 27.5 p -156.84 -21.67 0.09 Allowed 'General case' 0 CA--C 1.479 -1.767 0 CA-C-N 112.062 -2.336 . . . . 0.0 106.714 176.438 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' DAB . . . . . 0.5 ' HA ' ' HD2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.621 ' C ' ' H ' ' A' ' 9' ' ' ARG . 6.9 m-85 -64.47 -21.29 66.62 Favored 'General case' 0 N--CA 1.395 -3.193 0 CA-C-N 110.652 -2.976 . . . . 0.0 109.442 -177.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.62 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 31.3 m-85 -100.41 35.69 2.06 Favored 'General case' 0 CA--C 1.458 -2.595 0 CA-C-O 125.11 2.386 . . . . 0.0 105.419 -176.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.621 ' H ' ' C ' ' A' ' 7' ' ' PHE . 2.0 mtp180 -151.29 -22.74 0.21 Allowed 'General case' 0 N--CA 1.407 -2.619 1 CA-C-N 108.083 -4.144 . . . . 0.0 106.213 175.905 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.593 ' HG2' ' CD1' ' A' ' 11' ' ' PHE . 5.5 pm0 -154.41 177.93 10.62 Favored 'General case' 0 C--N 1.381 1.972 0 O-C-N 121.553 -0.717 . . . . 0.0 109.217 179.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.593 ' CD1' ' HG2' ' A' ' 10' ' ' GLN . 53.6 m-85 80.05 -70.85 0.08 Allowed 'General case' 0 CA--C 1.501 -0.909 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.462 HD12 ' HB2' ' A' ' 11' ' ' PHE . 4.0 mp -84.23 -44.11 17.81 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.668 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 -179.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 mt -79.9 -51.09 9.55 Favored 'General case' 0 N--CA 1.42 -1.95 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.706 -175.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -114.31 132.9 56.01 Favored 'General case' 0 CA--C 1.497 -1.06 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -72.27 143.65 48.67 Favored 'General case' 0 CA--C 1.501 -0.933 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -21.92 59.49 Favored 'General case' 0 CA--C 1.5 -0.943 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt . . . . . 0 C--O 1.262 1.743 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 180.0 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 N--CA 1.488 1.469 0 CA-C-O 121.181 0.515 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 99.3 mtp -130.89 148.52 52.67 Favored 'General case' 0 CA--C 1.488 -1.436 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.51 86.82 1.48 Allowed 'General case' 0 CA--C 1.467 -2.238 0 CA-C-O 123.002 1.382 . . . . 0.0 107.977 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.607 ' O ' ' HB2' ' A' ' 7' ' ' PHE . 24.3 mt -118.49 -16.31 9.54 Favored 'General case' 0 N--CA 1.421 -1.899 0 CA-C-N 113.756 -1.566 . . . . 0.0 107.163 -179.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.9 p -79.29 0.82 27.26 Favored 'General case' 0 CA--C 1.482 -1.652 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 -179.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' DAB . . . . . 0.555 ' HA ' ' HD2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.621 ' C ' ' H ' ' A' ' 9' ' ' ARG . 5.8 m-85 -66.48 -19.75 65.87 Favored 'General case' 0 N--CA 1.398 -3.026 0 CA-C-N 112.237 -2.256 . . . . 0.0 107.842 -178.211 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.594 ' CE1' ' O ' ' A' ' 4' ' ' LEU . 13.0 m-85 -97.24 37.74 1.31 Allowed 'General case' 0 CA--C 1.461 -2.457 0 CA-C-O 125.068 2.366 . . . . 0.0 106.191 -178.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.621 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -155.86 -22.78 0.11 Allowed 'General case' 0 N--CA 1.41 -2.463 1 CA-C-N 108.252 -4.067 . . . . 0.0 106.235 175.171 . . . . . . . . 4 4 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.474 ' NE2' ' C ' ' A' ' 6' ' ' DAB . 0.0 OUTLIER -145.98 -178.21 6.0 Favored 'General case' 0 C--N 1.38 1.923 0 C-N-CA 119.881 -0.728 . . . . 0.0 109.271 -178.149 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.486 ' HB2' HD12 ' A' ' 12' ' ' ILE . 83.6 m-85 71.41 -72.83 0.11 Allowed 'General case' 0 C--N 1.356 0.89 0 CA-C-O 121.03 0.443 . . . . 0.0 110.275 177.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.553 ' CD1' ' HB3' ' A' ' 7' ' ' PHE . 4.0 mp -81.43 -44.78 20.64 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.828 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 -179.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 9' ' ' ARG . 3.4 mt -84.88 -46.4 11.34 Favored 'General case' 0 N--CA 1.418 -2.035 0 CA-C-N 114.629 -1.168 . . . . 0.0 108.989 -175.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 62.93 48.88 3.75 Favored 'General case' 0 CA--C 1.507 -0.679 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.8 mmp_? -98.11 134.64 40.9 Favored 'General case' 0 CA--C 1.498 -1.043 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -98.1 -11.23 23.09 Favored 'General case' 0 CA--C 1.493 -1.214 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.8 mttm . . . . . 0 C--O 1.261 1.697 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 -179.914 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 120.856 0.36 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 62.9 mtt -131.67 152.14 51.09 Favored 'General case' 0 CA--C 1.485 -1.536 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.403 ' O ' ' HG2' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -137.86 109.78 7.19 Favored 'General case' 0 CA--C 1.471 -2.065 0 N-CA-C 105.569 -2.012 . . . . 0.0 105.569 177.209 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.615 ' O ' ' HB2' ' A' ' 7' ' ' PHE . 20.3 mt -125.59 -20.7 4.65 Favored 'General case' 0 N--CA 1.421 -1.922 0 CA-C-N 114.769 -1.105 . . . . 0.0 108.332 -179.692 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.431 ' HA ' ' CD1' ' A' ' 8' ' ' PHE . 84.9 p -70.87 -13.79 62.16 Favored 'General case' 0 CA--C 1.485 -1.55 0 O-C-N 119.667 -1.896 . . . . 0.0 106.405 -179.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' DAB . . . . . 0.461 ' C ' ' HG2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.615 ' HB2' ' O ' ' A' ' 4' ' ' LEU . 5.1 m-85 -69.46 -18.05 63.68 Favored 'General case' 0 N--CA 1.391 -3.397 0 CA-C-N 113.332 -1.758 . . . . 0.0 106.838 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.603 ' CE1' ' O ' ' A' ' 4' ' ' LEU . 12.3 m-85 -100.27 40.79 1.22 Allowed 'General case' 0 CA--C 1.469 -2.144 0 CA-C-O 125.073 2.368 . . . . 0.0 106.301 -178.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.544 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -161.52 -18.77 0.05 OUTLIER 'General case' 0 N--CA 1.422 -1.871 1 CA-C-N 108.388 -4.005 . . . . 0.0 106.061 175.412 . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 6' ' ' DAB . 0.0 OUTLIER -148.73 -178.26 6.24 Favored 'General case' 0 C--N 1.379 1.889 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 -178.624 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.518 ' CD1' ' CD1' ' A' ' 7' ' ' PHE . 77.5 m-85 69.96 -77.13 0.06 Allowed 'General case' 0 C--N 1.354 0.792 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.619 177.529 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.588 ' CD1' ' HB3' ' A' ' 7' ' ' PHE . 4.3 mp -75.82 -44.49 39.13 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.84 0 CA-C-O 122.168 0.985 . . . . 0.0 108.601 -178.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 9' ' ' ARG . 4.2 mt -81.98 -36.22 28.11 Favored 'General case' 0 N--CA 1.417 -2.112 0 CA-C-N 114.354 -1.294 . . . . 0.0 109.19 -175.309 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -71.26 130.13 40.65 Favored 'General case' 0 CA--C 1.504 -0.821 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -128.45 149.19 50.67 Favored 'General case' 0 CA--C 1.496 -1.108 0 N-CA-C 107.024 -1.472 . . . . 0.0 107.024 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -93.31 -11.58 32.09 Favored 'General case' 0 CA--C 1.494 -1.202 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt . . . . . 0 C--O 1.262 1.721 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 . . . . . 0 N--CA 1.489 1.497 0 CA-C-O 121.065 0.459 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 66.6 mtt -129.82 149.55 51.51 Favored 'General case' 0 CA--C 1.491 -1.305 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.42 ' O ' ' HG2' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -137.04 65.25 1.51 Allowed 'General case' 0 CA--C 1.465 -2.297 0 CA-C-O 123.28 1.514 . . . . 0.0 106.935 -179.562 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.436 HD23 ' CE1' ' A' ' 7' ' ' PHE . 64.6 mt -93.19 73.66 4.63 Favored 'General case' 0 N--CA 1.408 -2.563 0 CA-C-N 113.444 -1.707 . . . . 0.0 109.423 -175.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.401 ' HA ' ' CD1' ' A' ' 8' ' ' PHE . 24.2 p -160.89 -27.87 0.06 Allowed 'General case' 0 CA--C 1.479 -1.785 0 CA-C-N 111.456 -2.611 . . . . 0.0 105.681 176.436 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' DAB . . . . . 0.492 ' HA ' ' HD2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.639 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 6.5 m-85 -63.19 -21.67 66.37 Favored 'General case' 0 N--CA 1.394 -3.251 0 CA-C-N 110.418 -3.083 . . . . 0.0 109.843 -178.121 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.639 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 30.4 m-85 -101.11 35.87 2.12 Favored 'General case' 0 CA--C 1.455 -2.689 0 CA-C-O 125.113 2.387 . . . . 0.0 105.937 -176.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.576 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.7 OUTLIER -153.92 -20.75 0.14 Allowed 'General case' 0 N--CA 1.408 -2.568 1 CA-C-N 108.167 -4.106 . . . . 0.0 106.512 175.924 . . . . . . . . 4 4 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.421 ' NE2' ' C ' ' A' ' 6' ' ' DAB . 0.0 OUTLIER -151.74 -178.98 7.04 Favored 'General case' 0 C--N 1.383 2.052 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -178.684 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.517 ' HB2' HD11 ' A' ' 12' ' ' ILE . 60.4 m-85 73.78 -71.55 0.13 Allowed 'General case' 0 C--N 1.357 0.91 0 CA-C-O 121.099 0.476 . . . . 0.0 109.855 177.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.517 HD11 ' HB2' ' A' ' 11' ' ' PHE . 3.9 mp -82.52 -44.05 19.22 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.763 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 -179.261 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.42 HD11 ' HA ' ' A' ' 9' ' ' ARG . 5.9 mt -82.07 -53.53 6.03 Favored 'General case' 0 N--CA 1.419 -2.018 0 CA-C-N 114.924 -1.034 . . . . 0.0 109.203 -175.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -107.88 115.61 30.45 Favored 'General case' 0 CA--C 1.498 -1.02 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 -80.98 152.85 27.78 Favored 'General case' 0 CA--C 1.498 -1.035 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.2 -20.64 61.54 Favored 'General case' 0 CA--C 1.5 -0.96 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.485 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.261 1.708 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 179.852 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 120.759 0.314 . . . . 0.0 110.64 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 67.4 mtt -134.2 162.59 31.72 Favored 'General case' 0 CA--C 1.481 -1.704 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.583 ' HG2' ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -93.47 -78.23 0.43 Allowed 'General case' 0 N--CA 1.423 -1.801 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 -179.271 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.583 ' H ' ' HG2' ' A' ' 3' ' ' ARG . 17.2 mt 65.4 39.03 5.41 Favored 'General case' 0 CA--C 1.482 -1.673 0 CA-C-O 123.165 1.459 . . . . 0.0 109.223 176.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.42 ' C ' ' H ' ' A' ' 8' ' ' PHE . 22.7 p -147.36 -35.28 0.24 Allowed 'General case' 0 CA--C 1.475 -1.907 0 N-CA-C 104.121 -2.548 . . . . 0.0 104.121 174.091 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' DAB . . . . . 0.479 ' C ' ' HG2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.671 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 3.3 m-85 -66.18 -22.14 66.35 Favored 'General case' 0 N--CA 1.39 -3.455 0 CA-C-N 111.499 -2.591 . . . . 0.0 108.517 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.671 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 33.2 m-85 -104.94 41.77 1.3 Allowed 'General case' 0 CA--C 1.463 -2.367 0 CA-C-O 125.085 2.374 . . . . 0.0 106.678 -175.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.479 ' HG2' ' C ' ' A' ' 6' ' ' DAB . 0.3 OUTLIER -161.97 -19.27 0.04 OUTLIER 'General case' 0 N--CA 1.424 -1.759 1 CA-C-N 108.309 -4.041 . . . . 0.0 106.585 176.204 . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 6' ' ' DAB . 0.0 OUTLIER -150.93 -166.69 2.61 Favored 'General case' 0 C--N 1.37 1.46 0 N-CA-C 106.742 -1.577 . . . . 0.0 106.742 -178.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.502 ' CD1' ' CD1' ' A' ' 7' ' ' PHE . 96.7 m-85 65.77 -84.76 0.03 OUTLIER 'General case' 0 C--N 1.356 0.877 0 CA-C-O 121.524 0.678 . . . . 0.0 109.848 178.006 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.49 ' H ' ' CD1' ' A' ' 12' ' ' ILE . 4.4 mp -73.05 -41.75 59.34 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.723 0 CA-C-N 115.082 -0.963 . . . . 0.0 108.901 -178.181 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 9' ' ' ARG . 6.9 mt -83.45 -35.33 25.05 Favored 'General case' 0 N--CA 1.419 -2.022 0 CA-C-N 115.014 -0.994 . . . . 0.0 108.65 -175.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -62.99 -45.22 93.45 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.74 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 91.6 mtm180 -137.77 147.63 44.83 Favored 'General case' 0 CA--C 1.494 -1.194 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.5 mmtt -96.35 -3.74 43.24 Favored 'General case' 0 CA--C 1.5 -0.96 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 -178.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt . . . . . 0 C--O 1.262 1.734 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -179.928 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 34.0 tp10 . . . . . 0 N--CA 1.488 1.457 0 CA-C-O 121.266 0.555 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 99.4 mtp -132.96 151.2 52.09 Favored 'General case' 0 CA--C 1.485 -1.52 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.98 93.52 2.56 Favored 'General case' 0 CA--C 1.465 -2.293 0 CA-C-O 123.013 1.387 . . . . 0.0 107.711 179.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.486 HD21 ' CE1' ' A' ' 7' ' ' PHE . 68.5 mt -131.74 73.05 1.51 Allowed 'General case' 0 CA--C 1.471 -2.081 0 CA-C-N 113.614 -1.63 . . . . 0.0 107.383 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.417 ' HA ' ' CD1' ' A' ' 8' ' ' PHE . 33.8 p -155.28 -22.99 0.11 Allowed 'General case' 0 CA--C 1.48 -1.741 0 CA-C-N 112.11 -2.314 . . . . 0.0 106.554 177.244 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' DAB . . . . . 0.52 ' HA ' ' HD2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.644 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 9.2 m-85 -63.16 -21.58 66.3 Favored 'General case' 0 N--CA 1.395 -3.179 0 CA-C-N 110.345 -3.116 . . . . 0.0 110.095 -177.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.644 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 32.6 m-85 -101.24 35.53 2.23 Favored 'General case' 0 CA--C 1.456 -2.646 0 CA-C-O 125.201 2.429 . . . . 0.0 105.78 -176.527 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.592 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -153.83 -20.53 0.14 Allowed 'General case' 0 N--CA 1.408 -2.538 1 CA-C-N 108.066 -4.152 . . . . 0.0 106.535 175.963 . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.409 ' NE2' ' C ' ' A' ' 6' ' ' DAB . 0.0 OUTLIER -151.99 -179.12 7.2 Favored 'General case' 0 C--N 1.383 2.029 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 -178.758 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.537 ' HB2' HD11 ' A' ' 12' ' ' ILE . 61.3 m-85 73.92 -70.18 0.16 Allowed 'General case' 0 C--N 1.356 0.878 0 CA-C-O 121.145 0.498 . . . . 0.0 109.844 177.62 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.537 HD11 ' HB2' ' A' ' 11' ' ' PHE . 3.7 mp -84.7 -42.29 16.56 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.743 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.151 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 9' ' ' ARG . 6.0 mt -83.69 -54.23 5.07 Favored 'General case' 0 N--CA 1.42 -1.951 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.964 -175.237 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -127.67 127.59 44.01 Favored 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 -178.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -149.44 161.04 42.88 Favored 'General case' 0 CA--C 1.49 -1.342 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -118.45 80.36 1.52 Allowed 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 179.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 88.1 tttt . . . . . 0 C--O 1.262 1.75 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 179.739 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 120.802 0.334 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 99.4 mtp -130.9 150.2 52.17 Favored 'General case' 0 CA--C 1.486 -1.504 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.05 95.11 2.75 Favored 'General case' 0 CA--C 1.465 -2.293 0 CA-C-O 123.1 1.428 . . . . 0.0 107.507 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.499 HD21 ' CD1' ' A' ' 7' ' ' PHE . 65.7 mt -132.23 72.99 1.51 Allowed 'General case' 0 CA--C 1.471 -2.06 0 CA-C-N 113.542 -1.663 . . . . 0.0 107.464 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.436 ' HA ' ' CD1' ' A' ' 8' ' ' PHE . 24.7 p -152.89 -31.21 0.13 Allowed 'General case' 0 CA--C 1.48 -1.747 0 CA-C-N 112.034 -2.348 . . . . 0.0 105.971 177.437 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' DAB . . . . . 0.492 ' C ' ' HG2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.671 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 9.7 m-85 -67.8 -21.19 65.24 Favored 'General case' 0 N--CA 1.387 -3.592 0 CA-C-N 111.599 -2.546 . . . . 0.0 109.066 -179.487 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.671 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 27.3 m-85 -103.99 40.57 1.42 Allowed 'General case' 0 CA--C 1.463 -2.391 0 CA-C-O 125.223 2.439 . . . . 0.0 105.867 -176.127 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.52 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -159.8 -22.97 0.07 Allowed 'General case' 0 N--CA 1.417 -2.088 1 CA-C-N 108.082 -4.145 . . . . 0.0 105.967 176.082 . . . . . . . . 4 4 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 6' ' ' DAB . 0.0 OUTLIER -150.87 -175.92 5.32 Favored 'General case' 0 C--N 1.379 1.876 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -178.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.475 ' HB2' HD12 ' A' ' 12' ' ' ILE . 49.7 m-85 72.06 -69.6 0.18 Allowed 'General case' 0 C--N 1.359 0.984 0 CA-C-O 120.93 0.395 . . . . 0.0 110.032 178.201 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.475 HD12 ' HB2' ' A' ' 11' ' ' PHE . 3.8 mp -85.86 -46.3 16.92 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.787 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 9' ' ' ARG . 4.6 mt -81.74 -47.42 12.93 Favored 'General case' 0 N--CA 1.421 -1.915 0 CA-C-N 114.868 -1.06 . . . . 0.0 108.857 -176.14 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 60.92 50.61 5.09 Favored 'General case' 0 CA--C 1.506 -0.747 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -79.56 152.92 29.85 Favored 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -88.77 -10.45 48.22 Favored 'General case' 0 CA--C 1.495 -1.152 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.6 mttt . . . . . 0 C--O 1.262 1.727 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 179.837 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 N--CA 1.489 1.497 0 CA-C-O 120.744 0.307 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 14.9 mmt -133.78 156.55 47.8 Favored 'General case' 0 CA--C 1.486 -1.512 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.576 ' O ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -142.15 93.28 2.52 Favored 'General case' 0 CA--C 1.468 -2.184 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.606 ' O ' ' HB2' ' A' ' 7' ' ' PHE . 18.0 mt -123.37 -17.21 6.62 Favored 'General case' 0 N--CA 1.422 -1.837 0 CA-C-N 113.841 -1.527 . . . . 0.0 107.354 -179.567 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.2 p . . . . . 0 CA--C 1.48 -1.715 0 N-CA-C 106.225 -1.768 . . . . 0.0 106.225 -179.395 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.629 ' C ' ' H ' ' A' ' 9' ' ' ARG . 5.3 m-85 . . . . . 0 N--CA 1.4 -2.945 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' A' ' 4' ' ' LEU . 12.4 m-85 -96.3 36.95 1.29 Allowed 'General case' 0 CA--C 1.462 -2.437 0 CA-C-O 124.951 2.31 . . . . 0.0 105.97 -178.372 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.629 ' H ' ' C ' ' A' ' 7' ' ' PHE . 1.1 mtp180 -153.19 -21.98 0.15 Allowed 'General case' 0 N--CA 1.408 -2.533 0 CA-C-N 108.433 -3.985 . . . . 0.0 106.411 175.275 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.641 ' HG2' ' CD1' ' A' ' 11' ' ' PHE . 3.6 pm0 -151.6 174.21 13.73 Favored 'General case' 0 C--N 1.379 1.88 0 C-N-CA 119.789 -0.764 . . . . 0.0 109.377 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.641 ' CD1' ' HG2' ' A' ' 10' ' ' GLN . 71.9 m-85 80.87 -78.16 0.03 OUTLIER 'General case' 0 CA--C 1.499 -1.007 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 178.624 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.754 ' H ' HD12 ' A' ' 12' ' ' ILE . 4.6 mp -75.18 -42.56 44.52 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.812 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.401 ' N ' HD23 ' A' ' 13' ' ' LEU . 4.9 mt -83.47 -52.66 6.31 Favored 'General case' 0 N--CA 1.417 -2.079 0 CA-C-N 114.608 -1.178 . . . . 0.0 110.267 -174.702 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -113.9 132.2 56.01 Favored 'General case' 0 CA--C 1.497 -1.082 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.9 ptt180 -151.84 163.5 39.08 Favored 'General case' 0 CA--C 1.494 -1.184 0 N-CA-C 106.873 -1.528 . . . . 0.0 106.873 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -97.63 -7.2 31.59 Favored 'General case' 0 CA--C 1.497 -1.094 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 -177.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--O 1.262 1.751 0 CA-C-O 117.872 -1.061 . . . . 0.0 108.246 -179.649 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 120.614 0.245 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 63.4 mtt -132.1 151.34 51.82 Favored 'General case' 0 CA--C 1.488 -1.405 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.502 ' O ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -138.09 91.67 2.59 Favored 'General case' 0 CA--C 1.467 -2.23 0 N-CA-C 106.473 -1.677 . . . . 0.0 106.473 179.433 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.6 ' O ' ' HB2' ' A' ' 7' ' ' PHE . 16.7 mt -121.05 -12.44 8.73 Favored 'General case' 0 N--CA 1.421 -1.904 0 CA-C-N 114.017 -1.447 . . . . 0.0 108.102 -178.531 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.5 p . . . . . 0 CA--C 1.484 -1.579 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 -179.738 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.63 ' C ' ' H ' ' A' ' 9' ' ' ARG . 5.0 m-85 . . . . . 0 N--CA 1.397 -3.086 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.586 ' CE1' ' O ' ' A' ' 4' ' ' LEU . 14.6 m-85 -97.21 36.62 1.42 Allowed 'General case' 0 CA--C 1.46 -2.483 0 CA-C-O 125.022 2.344 . . . . 0.0 106.28 -178.658 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.63 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -155.51 -19.56 0.11 Allowed 'General case' 0 N--CA 1.409 -2.475 1 CA-C-N 108.342 -4.026 . . . . 0.0 106.507 175.43 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.41 ' H ' ' H ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -148.48 178.59 8.48 Favored 'General case' 0 C--N 1.382 1.979 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -178.297 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.559 ' HB2' HD12 ' A' ' 12' ' ' ILE . 78.2 m-85 72.59 -76.33 0.07 Allowed 'General case' 0 CA--C 1.502 -0.887 0 CA-C-O 121.119 0.485 . . . . 0.0 110.398 177.233 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.809 ' H ' HD12 ' A' ' 12' ' ' ILE . 4.1 mp -75.84 -43.64 39.64 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.831 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -178.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.4 HD23 ' N ' ' A' ' 13' ' ' LEU . 4.3 mt -83.16 -64.58 1.14 Allowed 'General case' 0 N--CA 1.415 -2.201 0 CA-C-N 114.389 -1.278 . . . . 0.0 109.876 -174.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.8 mm100 58.95 45.32 15.21 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.0 mmt85 -73.78 135.61 43.54 Favored 'General case' 0 CA--C 1.499 -1.003 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -94.37 -11.38 30.05 Favored 'General case' 0 CA--C 1.493 -1.243 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.3 mttt . . . . . 0 C--O 1.262 1.735 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 179.763 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 120.776 0.322 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 66.7 mtt -131.33 151.49 51.46 Favored 'General case' 0 CA--C 1.487 -1.458 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.42 88.09 2.18 Favored 'General case' 0 CA--C 1.467 -2.248 0 CA-C-O 122.977 1.37 . . . . 0.0 107.518 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.605 ' O ' ' HB2' ' A' ' 7' ' ' PHE . 23.0 mt -117.47 -16.03 10.23 Favored 'General case' 0 N--CA 1.421 -1.895 0 CA-C-N 113.926 -1.488 . . . . 0.0 107.563 -179.08 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.5 p . . . . . 0 CA--C 1.482 -1.643 0 O-C-N 119.978 -1.701 . . . . 0.0 106.563 -179.498 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.615 ' C ' ' H ' ' A' ' 9' ' ' ARG . 5.3 m-85 . . . . . 0 N--CA 1.399 -3.02 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.601 ' CE1' ' O ' ' A' ' 4' ' ' LEU . 13.7 m-85 -97.18 37.27 1.34 Allowed 'General case' 0 CA--C 1.461 -2.444 0 CA-C-O 125.008 2.337 . . . . 0.0 106.28 -178.775 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.615 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -156.23 -18.74 0.1 Allowed 'General case' 0 N--CA 1.41 -2.438 1 CA-C-N 108.352 -4.022 . . . . 0.0 106.459 175.17 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -148.86 177.93 9.12 Favored 'General case' 0 C--N 1.382 2.013 0 O-C-N 121.545 -0.722 . . . . 0.0 109.092 -178.401 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.583 ' HB2' HD12 ' A' ' 12' ' ' ILE . 81.8 m-85 73.22 -76.63 0.06 Allowed 'General case' 0 CA--C 1.501 -0.917 0 CA-C-O 121.157 0.503 . . . . 0.0 110.212 177.322 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.815 HD12 ' H ' ' A' ' 12' ' ' ILE . 4.2 mp -75.73 -42.77 40.78 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.833 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 -178.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.5 mt -84.77 -52.88 5.73 Favored 'General case' 0 N--CA 1.416 -2.14 0 CA-C-N 114.627 -1.17 . . . . 0.0 110.093 -174.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -108.3 135.49 49.53 Favored 'General case' 0 CA--C 1.497 -1.083 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -127.25 147.52 50.22 Favored 'General case' 0 CA--C 1.497 -1.095 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -95.93 -9.73 30.5 Favored 'General case' 0 CA--C 1.493 -1.229 0 N-CA-C 107.281 -1.378 . . . . 0.0 107.281 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt . . . . . 0 C--O 1.261 1.708 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.94 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 120.77 0.319 . . . . 0.0 110.696 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 79.2 mtm -130.72 150.54 51.85 Favored 'General case' 0 CA--C 1.486 -1.5 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.91 93.17 2.52 Favored 'General case' 0 CA--C 1.465 -2.319 0 CA-C-O 122.971 1.367 . . . . 0.0 107.46 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.536 HD23 ' CD1' ' A' ' 7' ' ' PHE . 67.9 mt -130.39 73.02 1.51 Allowed 'General case' 0 CA--C 1.472 -2.056 0 CA-C-N 113.665 -1.607 . . . . 0.0 107.566 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.403 ' HA ' ' HD1' ' A' ' 8' ' ' PHE . 22.7 p . . . . . 0 CA--C 1.479 -1.753 0 CA-C-N 112.092 -2.322 . . . . 0.0 105.809 177.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.681 ' HD2' HD11 ' A' ' 12' ' ' ILE . 7.6 m-85 . . . . . 0 N--CA 1.387 -3.597 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.646 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 30.2 m-85 -103.97 40.5 1.44 Allowed 'General case' 0 CA--C 1.463 -2.388 0 CA-C-O 125.223 2.44 . . . . 0.0 105.711 -176.327 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.52 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -160.57 -19.64 0.06 Allowed 'General case' 0 N--CA 1.417 -2.122 1 CA-C-N 107.932 -4.213 . . . . 0.0 106.028 176.183 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.32 179.93 8.1 Favored 'General case' 0 C--N 1.382 2.006 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 -179.181 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.633 ' HB2' HD12 ' A' ' 12' ' ' ILE . 58.5 m-85 73.82 -70.39 0.16 Allowed 'General case' 0 C--N 1.357 0.931 0 CA-C-O 121.07 0.462 . . . . 0.0 110.229 177.47 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.712 HD12 ' H ' ' A' ' 12' ' ' ILE . 3.9 mp -83.77 -42.97 17.72 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.754 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -178.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 mt -80.9 -52.21 7.72 Favored 'General case' 0 N--CA 1.42 -1.936 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.148 -174.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -154.2 157.82 39.37 Favored 'General case' 0 CA--C 1.497 -1.074 0 C-N-CA 119.353 -0.939 . . . . 0.0 108.585 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -151.41 159.51 44.2 Favored 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.35 -15.62 39.94 Favored 'General case' 0 CA--C 1.499 -1.013 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -179.088 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt . . . . . 0 C--O 1.261 1.696 0 CA-C-O 117.904 -1.046 . . . . 0.0 108.432 -179.395 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 120.69 0.281 . . . . 0.0 110.748 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 65.8 mtt -131.39 151.31 51.64 Favored 'General case' 0 CA--C 1.485 -1.545 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.4 92.76 2.67 Favored 'General case' 0 CA--C 1.465 -2.322 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.53 HD23 ' CD1' ' A' ' 7' ' ' PHE . 68.8 mt -130.23 73.52 1.54 Allowed 'General case' 0 N--CA 1.418 -2.065 0 CA-C-N 113.629 -1.623 . . . . 0.0 107.614 -179.3 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.403 ' HA ' ' HD1' ' A' ' 8' ' ' PHE . 22.4 p . . . . . 0 CA--C 1.479 -1.766 0 CA-C-N 111.974 -2.376 . . . . 0.0 105.757 177.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.674 ' HD2' HD11 ' A' ' 12' ' ' ILE . 7.8 m-85 . . . . . 0 N--CA 1.387 -3.603 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.647 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 29.4 m-85 -103.74 40.41 1.44 Allowed 'General case' 0 CA--C 1.463 -2.393 0 CA-C-O 125.282 2.468 . . . . 0.0 105.786 -176.322 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.513 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -160.56 -19.77 0.06 Allowed 'General case' 0 N--CA 1.417 -2.1 1 CA-C-N 107.908 -4.223 . . . . 0.0 106.037 176.207 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.95 179.86 8.09 Favored 'General case' 0 C--N 1.382 1.983 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 -179.178 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.633 ' HB2' HD12 ' A' ' 12' ' ' ILE . 57.4 m-85 73.72 -72.34 0.12 Allowed 'General case' 0 CA--C 1.501 -0.911 0 CA-C-O 121.133 0.492 . . . . 0.0 109.914 177.655 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.744 HD12 ' H ' ' A' ' 12' ' ' ILE . 3.9 mp -81.22 -42.21 19.68 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.754 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 -179.003 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 mt -84.29 -51.62 6.85 Favored 'General case' 0 N--CA 1.418 -2.04 0 CA-C-N 115.076 -0.966 . . . . 0.0 110.242 -174.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -140.76 134.22 29.93 Favored 'General case' 0 CA--C 1.499 -0.983 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -141.28 158.51 43.79 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.88 -14.86 35.84 Favored 'General case' 0 CA--C 1.499 -0.991 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -179.113 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt . . . . . 0 C--O 1.261 1.658 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 -179.441 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 120.786 0.326 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 79.5 mtm -131.99 150.68 52.09 Favored 'General case' 0 CA--C 1.486 -1.498 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.0 89.5 2.31 Favored 'General case' 0 CA--C 1.468 -2.211 0 CA-C-O 123.032 1.396 . . . . 0.0 107.483 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.602 ' O ' ' CE1' ' A' ' 8' ' ' PHE . 21.6 mt -117.67 -16.41 10.07 Favored 'General case' 0 N--CA 1.422 -1.854 0 CA-C-N 113.681 -1.6 . . . . 0.0 107.321 -179.321 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.6 p . . . . . 0 CA--C 1.482 -1.653 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 -179.335 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.603 ' C ' ' H ' ' A' ' 9' ' ' ARG . 4.9 m-85 . . . . . 0 N--CA 1.398 -3.042 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' A' ' 4' ' ' LEU . 13.4 m-85 -97.08 37.12 1.34 Allowed 'General case' 0 CA--C 1.46 -2.512 0 CA-C-O 124.962 2.315 . . . . 0.0 106.355 -178.544 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.603 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -155.87 -19.01 0.1 Allowed 'General case' 0 N--CA 1.41 -2.432 0 CA-C-N 108.424 -3.989 . . . . 0.0 106.466 175.321 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.55 178.8 8.31 Favored 'General case' 0 C--N 1.382 1.995 0 O-C-N 121.48 -0.762 . . . . 0.0 109.01 -178.431 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.564 ' HB2' HD12 ' A' ' 12' ' ' ILE . 77.4 m-85 72.13 -78.4 0.05 OUTLIER 'General case' 0 CA--C 1.503 -0.858 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.232 177.248 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.803 HD12 ' H ' ' A' ' 12' ' ' ILE . 4.2 mp -73.37 -43.18 56.72 Favored 'Isoleucine or valine' 0 CA--C 1.473 -2.014 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 -178.719 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.422 ' N ' HD23 ' A' ' 13' ' ' LEU . 4.1 mt -83.36 -82.12 0.16 Allowed 'General case' 0 N--CA 1.412 -2.374 0 CA-C-N 114.376 -1.284 . . . . 0.0 108.7 -175.813 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -177.15 -88.98 0.0 OUTLIER 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -159.93 166.21 30.58 Favored 'General case' 0 N--CA 1.436 -1.141 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -93.03 -10.4 36.35 Favored 'General case' 0 CA--C 1.495 -1.143 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 -178.639 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt . . . . . 0 C--O 1.261 1.688 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 -179.548 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 120.725 0.298 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 67.4 mtt -130.05 151.09 50.97 Favored 'General case' 0 CA--C 1.485 -1.539 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.77 92.72 2.77 Favored 'General case' 0 CA--C 1.464 -2.345 0 CA-C-O 122.953 1.359 . . . . 0.0 107.475 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.539 HD23 ' CD1' ' A' ' 7' ' ' PHE . 67.5 mt -130.69 73.11 1.52 Allowed 'General case' 0 N--CA 1.416 -2.129 0 CA-C-N 113.651 -1.613 . . . . 0.0 107.472 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 p . . . . . 0 CA--C 1.478 -1.804 0 CA-C-N 112.041 -2.345 . . . . 0.0 105.838 177.335 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.686 ' HD2' HD11 ' A' ' 12' ' ' ILE . 8.0 m-85 . . . . . 0 N--CA 1.387 -3.592 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.648 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 29.1 m-85 -103.61 40.46 1.42 Allowed 'General case' 0 CA--C 1.462 -2.405 0 CA-C-O 125.27 2.462 . . . . 0.0 105.882 -176.287 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.504 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -160.29 -20.45 0.06 Allowed 'General case' 0 N--CA 1.417 -2.115 1 CA-C-N 107.952 -4.204 . . . . 0.0 105.98 176.213 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.437 ' H ' ' H ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -151.9 -179.37 7.41 Favored 'General case' 0 C--N 1.381 1.966 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 -179.025 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.606 ' HB2' HD12 ' A' ' 12' ' ' ILE . 55.4 m-85 73.42 -72.15 0.12 Allowed 'General case' 0 C--N 1.357 0.932 0 CA-C-O 121.156 0.503 . . . . 0.0 109.968 177.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.74 HD12 ' H ' ' A' ' 12' ' ' ILE . 3.9 mp -81.71 -44.02 20.08 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.822 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 -179.151 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.4 mt -82.97 -50.93 8.05 Favored 'General case' 0 N--CA 1.419 -2.021 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.148 -175.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -97.1 118.25 33.11 Favored 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 84.4 mtt85 -77.83 148.95 34.46 Favored 'General case' 0 N--CA 1.439 -0.98 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -89.17 -13.96 37.17 Favored 'General case' 0 CA--C 1.495 -1.135 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt . . . . . 0 C--O 1.262 1.757 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 120.863 0.364 . . . . 0.0 110.743 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -156.14 163.89 39.07 Favored 'General case' 0 CA--C 1.484 -1.562 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.76 81.52 1.22 Allowed 'General case' 0 CA--C 1.466 -2.284 0 CA-C-O 123.053 1.406 . . . . 0.0 107.44 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.611 ' O ' ' CE1' ' A' ' 8' ' ' PHE . 23.2 mt -112.66 -16.36 12.82 Favored 'General case' 0 N--CA 1.42 -1.954 0 CA-C-N 113.702 -1.59 . . . . 0.0 107.582 -178.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.6 p . . . . . 0 CA--C 1.483 -1.61 0 O-C-N 120.012 -1.68 . . . . 0.0 106.483 -179.451 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.608 ' HB2' ' O ' ' A' ' 4' ' ' LEU . 4.8 m-85 . . . . . 0 N--CA 1.399 -2.999 0 N-CA-C 107.802 -1.185 . . . . 0.0 107.802 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.611 ' CE1' ' O ' ' A' ' 4' ' ' LEU . 13.8 m-85 -97.08 37.43 1.32 Allowed 'General case' 0 CA--C 1.462 -2.426 0 CA-C-O 124.976 2.322 . . . . 0.0 106.2 -178.68 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.606 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -156.24 -19.55 0.1 Allowed 'General case' 0 N--CA 1.41 -2.461 1 CA-C-N 108.347 -4.024 . . . . 0.0 106.394 175.286 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -148.08 178.69 8.33 Favored 'General case' 0 C--N 1.382 1.993 0 CA-C-O 121.589 0.709 . . . . 0.0 109.14 -178.254 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.572 ' HB2' HD12 ' A' ' 12' ' ' ILE . 83.5 m-85 72.71 -77.02 0.06 Allowed 'General case' 0 CA--C 1.502 -0.876 0 CA-C-O 121.259 0.552 . . . . 0.0 110.156 177.319 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.819 HD12 ' H ' ' A' ' 12' ' ' ILE . 4.3 mp -75.31 -42.2 43.56 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.842 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 -178.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.404 HD23 ' N ' ' A' ' 13' ' ' LEU . 4.6 mt -84.89 -52.0 6.32 Favored 'General case' 0 N--CA 1.416 -2.127 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.277 -174.574 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -114.04 140.45 48.44 Favored 'General case' 0 CA--C 1.497 -1.085 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -179.256 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.9 ptp85 -148.97 159.85 43.83 Favored 'General case' 0 N--CA 1.437 -1.088 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.68 -15.19 37.85 Favored 'General case' 0 CA--C 1.499 -0.989 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 -179.233 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt . . . . . 0 C--O 1.261 1.667 0 CA-C-O 117.901 -1.047 . . . . 0.0 108.545 -179.333 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 120.832 0.348 . . . . 0.0 110.789 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 79.3 mtm -133.37 150.87 51.81 Favored 'General case' 0 CA--C 1.483 -1.599 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.0 109.83 11.55 Favored 'General case' 0 CA--C 1.468 -2.178 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 177.2 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.491 HD23 ' CD1' ' A' ' 7' ' ' PHE . 59.6 mt -132.27 69.83 1.47 Allowed 'General case' 0 N--CA 1.418 -2.061 0 CA-C-O 123.402 1.572 . . . . 0.0 107.987 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.436 ' HA ' ' HD1' ' A' ' 8' ' ' PHE . 19.2 p . . . . . 0 CA--C 1.478 -1.814 0 CA-C-N 111.912 -2.403 . . . . 0.0 105.784 176.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.639 ' HD2' HD11 ' A' ' 12' ' ' ILE . 6.7 m-85 . . . . . 0 N--CA 1.388 -3.545 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.627 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 29.4 m-85 -103.1 39.3 1.58 Allowed 'General case' 0 CA--C 1.462 -2.414 0 CA-C-O 125.205 2.431 . . . . 0.0 105.641 -176.506 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.522 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -157.62 -18.91 0.08 Allowed 'General case' 0 N--CA 1.416 -2.15 1 CA-C-N 108.032 -4.167 . . . . 0.0 105.759 175.803 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.581 ' HG2' ' CD1' ' A' ' 11' ' ' PHE . 3.6 pm0 -155.61 174.43 15.29 Favored 'General case' 0 C--N 1.38 1.924 0 O-C-N 121.378 -0.826 . . . . 0.0 109.224 178.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.592 ' HB2' HD12 ' A' ' 12' ' ' ILE . 43.0 m-85 80.35 -77.83 0.03 OUTLIER 'General case' 0 CA--C 1.499 -0.985 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 178.645 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.744 HD12 ' H ' ' A' ' 12' ' ' ILE . 4.4 mp -74.7 -43.65 47.11 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.907 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 -179.116 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.3 mt -80.79 -77.26 0.21 Allowed 'General case' 0 N--CA 1.416 -2.139 0 CA-C-N 114.769 -1.105 . . . . 0.0 108.836 -175.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -175.2 -102.16 0.0 OUTLIER 'General case' 0 CA--C 1.505 -0.753 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 96.1 mtm-85 -139.13 159.94 40.97 Favored 'General case' 0 CA--C 1.496 -1.128 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.15 -17.58 42.45 Favored 'General case' 0 CA--C 1.497 -1.075 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt . . . . . 0 C--O 1.261 1.663 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 -179.755 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 120.771 0.32 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 67.3 mtt -130.34 151.94 50.29 Favored 'General case' 0 CA--C 1.485 -1.553 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.35 93.58 3.0 Favored 'General case' 0 CA--C 1.465 -2.317 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 179.658 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.521 HD23 ' CD1' ' A' ' 7' ' ' PHE . 68.6 mt -130.63 73.05 1.52 Allowed 'General case' 0 CA--C 1.472 -2.037 0 CA-C-N 113.772 -1.558 . . . . 0.0 107.679 -179.329 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.417 ' HA ' ' HD1' ' A' ' 8' ' ' PHE . 23.2 p . . . . . 0 CA--C 1.479 -1.774 0 CA-C-N 112.167 -2.288 . . . . 0.0 106.481 177.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.609 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 7.6 m-85 . . . . . 0 N--CA 1.395 -3.2 0 CA-C-O 121.357 0.599 . . . . 0.0 109.702 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.609 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 31.7 m-85 -100.64 35.8 2.07 Favored 'General case' 0 CA--C 1.456 -2.671 0 CA-C-O 125.173 2.416 . . . . 0.0 105.501 -176.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.576 ' H ' ' C ' ' A' ' 7' ' ' PHE . 1.6 mtp180 -151.4 -21.05 0.2 Allowed 'General case' 0 N--CA 1.406 -2.626 1 CA-C-N 108.08 -4.145 . . . . 0.0 106.28 175.749 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.591 ' HG2' ' CD1' ' A' ' 11' ' ' PHE . 5.0 pm0 -155.25 175.82 13.36 Favored 'General case' 0 C--N 1.38 1.916 0 C-N-CA 119.855 -0.738 . . . . 0.0 109.227 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.591 ' CD1' ' HG2' ' A' ' 10' ' ' GLN . 52.8 m-85 80.92 -72.63 0.06 Allowed 'General case' 0 CA--C 1.499 -1.01 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 178.634 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.711 HD12 ' H ' ' A' ' 12' ' ' ILE . 4.1 mp -81.66 -42.54 19.44 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.729 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 mt -82.32 -53.03 6.36 Favored 'General case' 0 N--CA 1.42 -1.936 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.951 -175.321 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -133.58 127.71 33.65 Favored 'General case' 0 CA--C 1.499 -0.997 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 -178.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.4 ptt85 -139.75 139.17 36.42 Favored 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -72.05 -39.86 68.76 Favored 'General case' 0 CA--C 1.491 -1.291 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.1 mtmt . . . . . 0 C--O 1.259 1.593 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -179.394 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 120.767 0.318 . . . . 0.0 110.747 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 67.2 mtt -131.51 151.35 51.65 Favored 'General case' 0 CA--C 1.482 -1.658 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.41 89.9 3.13 Favored 'General case' 0 CA--C 1.458 -2.576 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.553 HD23 ' CD1' ' A' ' 7' ' ' PHE . 69.5 mt -115.12 74.49 0.88 Allowed 'General case' 0 CA--C 1.472 -2.043 0 CA-C-N 112.929 -1.941 . . . . 0.0 108.872 -177.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.4 ' C ' ' H ' ' A' ' 8' ' ' PHE . 21.6 p . . . . . 0 CA--C 1.48 -1.712 0 CA-C-N 112.046 -2.343 . . . . 0.0 105.834 176.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.668 ' HD2' HD11 ' A' ' 12' ' ' ILE . 9.7 m-85 . . . . . 0 N--CA 1.387 -3.603 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.637 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 26.6 m-85 -104.34 39.81 1.59 Allowed 'General case' 0 CA--C 1.464 -2.349 0 CA-C-O 125.117 2.389 . . . . 0.0 105.704 -176.337 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.488 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -159.76 -21.26 0.07 Allowed 'General case' 0 N--CA 1.418 -2.069 1 CA-C-N 108.175 -4.102 . . . . 0.0 106.154 176.209 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.09 -174.34 4.84 Favored 'General case' 0 C--N 1.379 1.872 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 -179.235 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.559 ' HB2' HD12 ' A' ' 12' ' ' ILE . 56.6 m-85 70.89 -74.28 0.09 Allowed 'General case' 0 C--N 1.358 0.938 0 CA-C-O 120.969 0.414 . . . . 0.0 109.896 178.197 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.751 ' H ' HD12 ' A' ' 12' ' ' ILE . 3.9 mp -80.82 -47.25 20.56 Favored 'Isoleucine or valine' 0 CA--C 1.476 -1.903 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 -179.242 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 mt -78.91 -45.01 21.46 Favored 'General case' 0 N--CA 1.417 -2.091 0 CA-C-N 114.61 -1.177 . . . . 0.0 107.926 -176.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 78.93 -50.79 0.45 Allowed 'General case' 0 CA--C 1.504 -0.791 0 CA-C-N 115.215 -0.902 . . . . 0.0 108.981 179.267 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 95.9 mtm-85 -126.88 148.23 50.02 Favored 'General case' 0 CA--C 1.496 -1.111 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -93.87 -9.66 36.51 Favored 'General case' 0 CA--C 1.494 -1.202 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 87.9 tttt . . . . . 0 C--O 1.262 1.757 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 120.758 0.313 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 99.4 mtp -129.79 148.76 51.7 Favored 'General case' 0 CA--C 1.486 -1.492 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.645 ' O ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -144.9 95.32 2.67 Favored 'General case' 0 CA--C 1.468 -2.183 0 CA-C-O 123.151 1.453 . . . . 0.0 107.675 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.645 HD23 ' O ' ' A' ' 3' ' ' ARG . 18.2 mt -123.73 -17.32 6.42 Favored 'General case' 0 N--CA 1.423 -1.824 0 CA-C-N 113.722 -1.581 . . . . 0.0 107.289 179.35 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.1 p . . . . . 0 CA--C 1.483 -1.609 0 N-CA-C 106.334 -1.728 . . . . 0.0 106.334 -179.453 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.61 ' C ' ' H ' ' A' ' 9' ' ' ARG . 5.4 m-85 . . . . . 0 N--CA 1.399 -2.996 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.605 ' CE1' ' O ' ' A' ' 4' ' ' LEU . 13.2 m-85 -97.4 36.86 1.41 Allowed 'General case' 0 CA--C 1.462 -2.434 0 CA-C-O 124.943 2.306 . . . . 0.0 106.224 -178.495 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.61 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -155.67 -19.64 0.11 Allowed 'General case' 0 N--CA 1.41 -2.443 0 CA-C-N 108.514 -3.948 . . . . 0.0 106.58 175.311 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.93 -178.4 6.26 Favored 'General case' 0 C--N 1.381 1.973 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 -178.464 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.531 ' HB2' HD12 ' A' ' 12' ' ' ILE . 79.9 m-85 70.4 -79.18 0.04 OUTLIER 'General case' 0 CA--C 1.503 -0.859 0 CA-C-O 121.014 0.435 . . . . 0.0 110.24 177.582 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.826 ' H ' HD12 ' A' ' 12' ' ' ILE . 4.3 mp -73.21 -44.7 55.19 Favored 'Isoleucine or valine' 0 CA--C 1.474 -1.95 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 -178.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.415 ' N ' HD23 ' A' ' 13' ' ' LEU . 4.0 mt -83.23 -49.55 9.32 Favored 'General case' 0 N--CA 1.412 -2.353 0 CA-C-N 114.137 -1.392 . . . . 0.0 108.057 -176.265 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 76.51 -56.15 0.57 Allowed 'General case' 0 C--N 1.355 0.815 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.143 179.087 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.9 mmt180 -110.63 139.6 45.74 Favored 'General case' 0 CA--C 1.496 -1.11 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.96 -9.25 31.64 Favored 'General case' 0 CA--C 1.493 -1.244 0 N-CA-C 106.573 -1.639 . . . . 0.0 106.573 179.156 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 87.7 tttt . . . . . 0 C--O 1.262 1.715 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 -179.941 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 120.769 0.319 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 79.5 mtm -131.19 150.52 52.11 Favored 'General case' 0 CA--C 1.487 -1.459 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.81 88.73 2.26 Favored 'General case' 0 CA--C 1.467 -2.24 0 CA-C-O 122.973 1.368 . . . . 0.0 107.557 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.602 ' O ' ' CE1' ' A' ' 8' ' ' PHE . 21.8 mt -118.7 -16.59 9.37 Favored 'General case' 0 N--CA 1.421 -1.879 0 CA-C-N 113.728 -1.578 . . . . 0.0 107.326 -179.226 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.5 p . . . . . 0 CA--C 1.483 -1.605 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 -179.499 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.621 ' C ' ' H ' ' A' ' 9' ' ' ARG . 4.9 m-85 . . . . . 0 N--CA 1.398 -3.04 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' A' ' 4' ' ' LEU . 13.6 m-85 -97.1 37.15 1.34 Allowed 'General case' 0 CA--C 1.462 -2.424 0 CA-C-O 125.025 2.345 . . . . 0.0 106.236 -178.645 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.621 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -156.49 -17.51 0.1 Allowed 'General case' 0 N--CA 1.411 -2.406 1 CA-C-N 108.322 -4.035 . . . . 0.0 106.511 175.24 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.5 176.89 10.21 Favored 'General case' 0 C--N 1.383 2.032 0 CA-C-O 121.657 0.741 . . . . 0.0 109.104 -178.568 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.595 ' HB2' HD12 ' A' ' 12' ' ' ILE . 82.9 m-85 73.72 -77.76 0.05 Allowed 'General case' 0 CA--C 1.501 -0.921 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.171 177.195 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.823 HD12 ' H ' ' A' ' 12' ' ' ILE . 4.3 mp -74.5 -42.83 49.23 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.843 0 CA-C-O 121.987 0.898 . . . . 0.0 108.822 -178.374 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.414 ' N ' HD23 ' A' ' 13' ' ' LEU . 5.2 mt -81.82 -50.44 9.22 Favored 'General case' 0 N--CA 1.417 -2.12 0 CA-C-N 114.59 -1.186 . . . . 0.0 110.55 -174.255 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -149.08 151.81 35.09 Favored 'General case' 0 CA--C 1.498 -1.027 0 C-N-CA 119.03 -1.068 . . . . 0.0 108.865 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -76.76 148.97 36.35 Favored 'General case' 0 CA--C 1.5 -0.972 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.79 -22.03 60.9 Favored 'General case' 0 CA--C 1.501 -0.942 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp . . . . . 0 C--O 1.263 1.801 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 -179.935 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 120.721 0.296 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 99.2 mtp -131.56 152.15 51.01 Favored 'General case' 0 CA--C 1.483 -1.625 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.19 114.46 14.5 Favored 'General case' 0 CA--C 1.47 -2.135 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 177.457 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.503 ' HA ' HD23 ' A' ' 4' ' ' LEU . 64.5 mt -131.04 68.6 1.48 Allowed 'General case' 0 CA--C 1.472 -2.032 0 CA-C-O 123.391 1.567 . . . . 0.0 108.458 179.363 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.416 ' HA ' ' HD1' ' A' ' 8' ' ' PHE . 27.5 p . . . . . 0 CA--C 1.479 -1.767 0 CA-C-N 112.062 -2.336 . . . . 0.0 106.714 176.438 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.621 ' HD2' HD11 ' A' ' 12' ' ' ILE . 6.9 m-85 . . . . . 0 N--CA 1.395 -3.193 0 CA-C-O 121.362 0.601 . . . . 0.0 109.442 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.609 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 31.3 m-85 -100.41 35.69 2.06 Favored 'General case' 0 CA--C 1.458 -2.595 0 CA-C-O 125.11 2.386 . . . . 0.0 105.419 -176.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.587 ' H ' ' C ' ' A' ' 7' ' ' PHE . 2.0 mtp180 -151.29 -22.74 0.21 Allowed 'General case' 0 N--CA 1.407 -2.619 1 CA-C-N 108.083 -4.144 . . . . 0.0 106.213 175.905 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.596 ' HG2' ' CD1' ' A' ' 11' ' ' PHE . 5.5 pm0 -154.41 177.93 10.62 Favored 'General case' 0 C--N 1.381 1.972 0 O-C-N 121.553 -0.717 . . . . 0.0 109.217 179.412 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.596 ' CD1' ' HG2' ' A' ' 10' ' ' GLN . 53.6 m-85 80.05 -70.85 0.08 Allowed 'General case' 0 CA--C 1.501 -0.909 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.749 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.683 ' H ' HD12 ' A' ' 12' ' ' ILE . 4.0 mp -84.23 -44.11 17.81 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.668 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 -179.594 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 mt -79.9 -51.09 9.55 Favored 'General case' 0 N--CA 1.42 -1.95 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.706 -175.637 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -114.31 132.9 56.01 Favored 'General case' 0 CA--C 1.497 -1.06 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -72.27 143.65 48.67 Favored 'General case' 0 CA--C 1.501 -0.933 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -21.92 59.49 Favored 'General case' 0 CA--C 1.5 -0.943 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt . . . . . 0 C--O 1.262 1.743 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 180.0 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 N--CA 1.488 1.469 0 CA-C-O 121.181 0.515 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 99.3 mtp -130.89 148.52 52.67 Favored 'General case' 0 CA--C 1.488 -1.436 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.51 86.82 1.48 Allowed 'General case' 0 CA--C 1.467 -2.238 0 CA-C-O 123.002 1.382 . . . . 0.0 107.977 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.605 ' O ' ' HB2' ' A' ' 7' ' ' PHE . 24.3 mt -118.49 -16.31 9.54 Favored 'General case' 0 N--CA 1.421 -1.899 0 CA-C-N 113.756 -1.566 . . . . 0.0 107.163 -179.698 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.9 p . . . . . 0 CA--C 1.482 -1.652 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 -179.353 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.609 ' C ' ' H ' ' A' ' 9' ' ' ARG . 5.8 m-85 . . . . . 0 N--CA 1.398 -3.026 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.594 ' CE1' ' O ' ' A' ' 4' ' ' LEU . 13.0 m-85 -97.24 37.74 1.31 Allowed 'General case' 0 CA--C 1.461 -2.457 0 CA-C-O 125.068 2.366 . . . . 0.0 106.191 -178.505 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.609 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -155.86 -22.78 0.11 Allowed 'General case' 0 N--CA 1.41 -2.463 1 CA-C-N 108.252 -4.067 . . . . 0.0 106.235 175.171 . . . . . . . . 4 4 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.98 -178.21 6.0 Favored 'General case' 0 C--N 1.38 1.923 0 C-N-CA 119.881 -0.728 . . . . 0.0 109.271 -178.149 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.556 ' HB2' HD12 ' A' ' 12' ' ' ILE . 83.6 m-85 71.41 -72.83 0.11 Allowed 'General case' 0 C--N 1.356 0.89 0 CA-C-O 121.03 0.443 . . . . 0.0 110.275 177.794 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.755 ' H ' HD12 ' A' ' 12' ' ' ILE . 4.0 mp -81.43 -44.78 20.64 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.828 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 -179.536 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.418 ' N ' HD23 ' A' ' 13' ' ' LEU . 3.4 mt -84.88 -46.4 11.34 Favored 'General case' 0 N--CA 1.418 -2.035 0 CA-C-N 114.629 -1.168 . . . . 0.0 108.989 -175.724 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 62.93 48.88 3.75 Favored 'General case' 0 CA--C 1.507 -0.679 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.8 mmp_? -98.11 134.64 40.9 Favored 'General case' 0 CA--C 1.498 -1.043 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -98.1 -11.23 23.09 Favored 'General case' 0 CA--C 1.493 -1.214 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.8 mttm . . . . . 0 C--O 1.261 1.697 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 -179.914 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 120.856 0.36 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 62.9 mtt -131.67 152.14 51.09 Favored 'General case' 0 CA--C 1.485 -1.536 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.722 ' O ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -137.86 109.78 7.19 Favored 'General case' 0 CA--C 1.471 -2.065 0 N-CA-C 105.569 -2.012 . . . . 0.0 105.569 177.209 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.722 HD23 ' O ' ' A' ' 3' ' ' ARG . 20.3 mt -125.59 -20.7 4.65 Favored 'General case' 0 N--CA 1.421 -1.922 0 CA-C-N 114.769 -1.105 . . . . 0.0 108.332 -179.692 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.404 ' HA ' ' CD1' ' A' ' 8' ' ' PHE . 84.9 p . . . . . 0 CA--C 1.485 -1.55 0 O-C-N 119.667 -1.896 . . . . 0.0 106.405 -179.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.622 ' HD2' HD11 ' A' ' 12' ' ' ILE . 5.1 m-85 . . . . . 0 N--CA 1.391 -3.397 0 N-CA-C 106.838 -1.542 . . . . 0.0 106.838 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.603 ' CE1' ' O ' ' A' ' 4' ' ' LEU . 12.3 m-85 -100.27 40.79 1.22 Allowed 'General case' 0 CA--C 1.469 -2.144 0 CA-C-O 125.073 2.368 . . . . 0.0 106.301 -178.433 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.53 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -161.52 -18.77 0.05 OUTLIER 'General case' 0 N--CA 1.422 -1.871 1 CA-C-N 108.388 -4.005 . . . . 0.0 106.061 175.412 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.43 ' H ' ' H ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -148.73 -178.26 6.24 Favored 'General case' 0 C--N 1.379 1.889 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 -178.624 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.55 ' HB2' HD12 ' A' ' 12' ' ' ILE . 77.5 m-85 69.96 -77.13 0.06 Allowed 'General case' 0 C--N 1.354 0.792 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.619 177.529 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.782 ' H ' HD12 ' A' ' 12' ' ' ILE . 4.3 mp -75.82 -44.49 39.13 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.84 0 CA-C-O 122.168 0.985 . . . . 0.0 108.601 -178.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.419 HD23 ' N ' ' A' ' 13' ' ' LEU . 4.2 mt -81.98 -36.22 28.11 Favored 'General case' 0 N--CA 1.417 -2.112 0 CA-C-N 114.354 -1.294 . . . . 0.0 109.19 -175.309 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -71.26 130.13 40.65 Favored 'General case' 0 CA--C 1.504 -0.821 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -128.45 149.19 50.67 Favored 'General case' 0 CA--C 1.496 -1.108 0 N-CA-C 107.024 -1.472 . . . . 0.0 107.024 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -93.31 -11.58 32.09 Favored 'General case' 0 CA--C 1.494 -1.202 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt . . . . . 0 C--O 1.262 1.721 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 . . . . . 0 N--CA 1.489 1.497 0 CA-C-O 121.065 0.459 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 66.6 mtt -129.82 149.55 51.51 Favored 'General case' 0 CA--C 1.491 -1.305 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.408 ' O ' ' HG2' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -137.04 65.25 1.51 Allowed 'General case' 0 CA--C 1.465 -2.297 0 CA-C-O 123.28 1.514 . . . . 0.0 106.935 -179.562 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.45 HD23 ' CD1' ' A' ' 7' ' ' PHE . 64.6 mt -93.19 73.66 4.63 Favored 'General case' 0 N--CA 1.408 -2.563 0 CA-C-N 113.444 -1.707 . . . . 0.0 109.423 -175.371 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.2 p . . . . . 0 CA--C 1.479 -1.785 0 CA-C-N 111.456 -2.611 . . . . 0.0 105.681 176.436 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.694 ' HD2' HD11 ' A' ' 12' ' ' ILE . 6.5 m-85 . . . . . 0 N--CA 1.394 -3.251 0 CA-C-O 121.082 0.468 . . . . 0.0 109.843 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.63 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 30.4 m-85 -101.11 35.87 2.12 Favored 'General case' 0 CA--C 1.455 -2.689 0 CA-C-O 125.113 2.387 . . . . 0.0 105.937 -176.676 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.566 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.7 OUTLIER -153.92 -20.75 0.14 Allowed 'General case' 0 N--CA 1.408 -2.568 1 CA-C-N 108.167 -4.106 . . . . 0.0 106.512 175.924 . . . . . . . . 4 4 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.74 -178.98 7.04 Favored 'General case' 0 C--N 1.383 2.052 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -178.684 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.603 ' HB2' HD12 ' A' ' 12' ' ' ILE . 60.4 m-85 73.78 -71.55 0.13 Allowed 'General case' 0 C--N 1.357 0.91 0 CA-C-O 121.099 0.476 . . . . 0.0 109.855 177.691 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.733 ' H ' HD12 ' A' ' 12' ' ' ILE . 3.9 mp -82.52 -44.05 19.22 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.763 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 -179.261 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.9 mt -82.07 -53.53 6.03 Favored 'General case' 0 N--CA 1.419 -2.018 0 CA-C-N 114.924 -1.034 . . . . 0.0 109.203 -175.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -107.88 115.61 30.45 Favored 'General case' 0 CA--C 1.498 -1.02 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 -80.98 152.85 27.78 Favored 'General case' 0 CA--C 1.498 -1.035 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.2 -20.64 61.54 Favored 'General case' 0 CA--C 1.5 -0.96 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.485 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.261 1.708 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 179.852 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 120.759 0.314 . . . . 0.0 110.64 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 67.4 mtt -134.2 162.59 31.72 Favored 'General case' 0 CA--C 1.481 -1.704 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.602 ' HG2' ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -93.47 -78.23 0.43 Allowed 'General case' 0 N--CA 1.423 -1.801 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 -179.271 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.602 ' H ' ' HG2' ' A' ' 3' ' ' ARG . 17.2 mt 65.4 39.03 5.41 Favored 'General case' 0 CA--C 1.482 -1.673 0 CA-C-O 123.165 1.459 . . . . 0.0 109.223 176.535 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.425 ' C ' ' H ' ' A' ' 8' ' ' PHE . 22.7 p . . . . . 0 CA--C 1.475 -1.907 0 N-CA-C 104.121 -2.548 . . . . 0.0 104.121 174.091 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.672 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 3.3 m-85 . . . . . 0 N--CA 1.39 -3.455 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.672 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 33.2 m-85 -104.94 41.77 1.3 Allowed 'General case' 0 CA--C 1.463 -2.367 0 CA-C-O 125.085 2.374 . . . . 0.0 106.678 -175.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.438 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -161.97 -19.27 0.04 OUTLIER 'General case' 0 N--CA 1.424 -1.759 1 CA-C-N 108.309 -4.041 . . . . 0.0 106.585 176.204 . . . . . . . . 4 4 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.93 -166.69 2.61 Favored 'General case' 0 C--N 1.37 1.46 0 N-CA-C 106.742 -1.577 . . . . 0.0 106.742 -178.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.655 ' HB2' HD12 ' A' ' 12' ' ' ILE . 96.7 m-85 65.77 -84.76 0.03 OUTLIER 'General case' 0 C--N 1.356 0.877 0 CA-C-O 121.524 0.678 . . . . 0.0 109.848 178.006 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.841 ' H ' HD12 ' A' ' 12' ' ' ILE . 4.4 mp -73.05 -41.75 59.34 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.723 0 CA-C-N 115.082 -0.963 . . . . 0.0 108.901 -178.181 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 mt -83.45 -35.33 25.05 Favored 'General case' 0 N--CA 1.419 -2.022 0 CA-C-N 115.014 -0.994 . . . . 0.0 108.65 -175.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -62.99 -45.22 93.45 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.74 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 91.6 mtm180 -137.77 147.63 44.83 Favored 'General case' 0 CA--C 1.494 -1.194 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.5 mmtt -96.35 -3.74 43.24 Favored 'General case' 0 CA--C 1.5 -0.96 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 -178.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt . . . . . 0 C--O 1.262 1.734 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -179.928 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 34.0 tp10 . . . . . 0 N--CA 1.488 1.457 0 CA-C-O 121.266 0.555 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 99.4 mtp -132.96 151.2 52.09 Favored 'General case' 0 CA--C 1.485 -1.52 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.98 93.52 2.56 Favored 'General case' 0 CA--C 1.465 -2.293 0 CA-C-O 123.013 1.387 . . . . 0.0 107.711 179.654 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.543 HD23 ' CD1' ' A' ' 7' ' ' PHE . 68.5 mt -131.74 73.05 1.51 Allowed 'General case' 0 CA--C 1.471 -2.081 0 CA-C-N 113.614 -1.63 . . . . 0.0 107.383 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.444 ' HA ' ' HD1' ' A' ' 8' ' ' PHE . 33.8 p . . . . . 0 CA--C 1.48 -1.741 0 CA-C-N 112.11 -2.314 . . . . 0.0 106.554 177.244 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.674 ' HD2' HD11 ' A' ' 12' ' ' ILE . 9.2 m-85 . . . . . 0 N--CA 1.395 -3.179 0 CA-C-O 121.085 0.469 . . . . 0.0 110.095 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.635 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 32.6 m-85 -101.24 35.53 2.23 Favored 'General case' 0 CA--C 1.456 -2.646 0 CA-C-O 125.201 2.429 . . . . 0.0 105.78 -176.527 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.572 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -153.83 -20.53 0.14 Allowed 'General case' 0 N--CA 1.408 -2.538 1 CA-C-N 108.066 -4.152 . . . . 0.0 106.535 175.963 . . . . . . . . 4 4 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.99 -179.12 7.2 Favored 'General case' 0 C--N 1.383 2.029 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 -178.758 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.609 ' HB2' HD12 ' A' ' 12' ' ' ILE . 61.3 m-85 73.92 -70.18 0.16 Allowed 'General case' 0 C--N 1.356 0.878 0 CA-C-O 121.145 0.498 . . . . 0.0 109.844 177.62 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.725 ' H ' HD12 ' A' ' 12' ' ' ILE . 3.7 mp -84.7 -42.29 16.56 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.743 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.151 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.0 mt -83.69 -54.23 5.07 Favored 'General case' 0 N--CA 1.42 -1.951 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.964 -175.237 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -127.67 127.59 44.01 Favored 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 -178.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -149.44 161.04 42.88 Favored 'General case' 0 CA--C 1.49 -1.342 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -118.45 80.36 1.52 Allowed 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 179.284 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 88.1 tttt . . . . . 0 C--O 1.262 1.75 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 179.739 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 120.802 0.334 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 99.4 mtp -130.9 150.2 52.17 Favored 'General case' 0 CA--C 1.486 -1.504 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.05 95.11 2.75 Favored 'General case' 0 CA--C 1.465 -2.293 0 CA-C-O 123.1 1.428 . . . . 0.0 107.507 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.545 HD23 ' CD1' ' A' ' 7' ' ' PHE . 65.7 mt -132.23 72.99 1.51 Allowed 'General case' 0 CA--C 1.471 -2.06 0 CA-C-N 113.542 -1.663 . . . . 0.0 107.464 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.42 ' C ' ' H ' ' A' ' 8' ' ' PHE . 24.7 p . . . . . 0 CA--C 1.48 -1.747 0 CA-C-N 112.034 -2.348 . . . . 0.0 105.971 177.437 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.693 ' HD2' HD11 ' A' ' 12' ' ' ILE . 9.7 m-85 . . . . . 0 N--CA 1.387 -3.592 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.664 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 27.3 m-85 -103.99 40.57 1.42 Allowed 'General case' 0 CA--C 1.463 -2.391 0 CA-C-O 125.223 2.439 . . . . 0.0 105.867 -176.127 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.493 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -159.8 -22.97 0.07 Allowed 'General case' 0 N--CA 1.417 -2.088 1 CA-C-N 108.082 -4.145 . . . . 0.0 105.967 176.082 . . . . . . . . 4 4 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.447 ' H ' ' H ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -150.87 -175.92 5.32 Favored 'General case' 0 C--N 1.379 1.876 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -178.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.578 ' HB2' HD12 ' A' ' 12' ' ' ILE . 49.7 m-85 72.06 -69.6 0.18 Allowed 'General case' 0 C--N 1.359 0.984 0 CA-C-O 120.93 0.395 . . . . 0.0 110.032 178.201 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.697 HD12 ' H ' ' A' ' 12' ' ' ILE . 3.8 mp -85.86 -46.3 16.92 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.787 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.6 mt -81.74 -47.42 12.93 Favored 'General case' 0 N--CA 1.421 -1.915 0 CA-C-N 114.868 -1.06 . . . . 0.0 108.857 -176.14 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 60.92 50.61 5.09 Favored 'General case' 0 CA--C 1.506 -0.747 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -79.56 152.92 29.85 Favored 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -88.77 -10.45 48.22 Favored 'General case' 0 CA--C 1.495 -1.152 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.6 mttt . . . . . 0 C--O 1.262 1.727 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 179.837 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 N--CA 1.489 1.497 0 CA-C-O 120.744 0.307 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 14.9 mmt -133.78 156.55 47.8 Favored 'General case' 0 CA--C 1.486 -1.512 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.576 ' O ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -142.15 93.28 2.52 Favored 'General case' 0 CA--C 1.468 -2.184 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.606 ' O ' ' HB2' ' A' ' 7' ' ' PHE . 18.0 mt -123.37 -17.21 6.62 Favored 'General case' 0 N--CA 1.422 -1.837 0 CA-C-N 113.841 -1.527 . . . . 0.0 107.354 -179.567 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.2 p -80.28 2.54 24.19 Favored 'General case' 0 CA--C 1.48 -1.715 0 N-CA-C 106.225 -1.768 . . . . 0.0 106.225 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' DAB . . . . . 0.545 ' HA ' ' HD2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.629 ' C ' ' H ' ' A' ' 9' ' ' ARG . 5.3 m-85 -66.52 -20.87 66.14 Favored 'General case' 0 N--CA 1.4 -2.945 0 CA-C-N 112.1 -2.318 . . . . 0.0 107.49 -178.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' A' ' 4' ' ' LEU . 12.4 m-85 -96.3 36.95 1.29 Allowed 'General case' 0 CA--C 1.462 -2.437 0 CA-C-O 124.951 2.31 . . . . 0.0 105.97 -178.372 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.629 ' H ' ' C ' ' A' ' 7' ' ' PHE . 1.1 mtp180 -153.19 -21.98 0.15 Allowed 'General case' 0 N--CA 1.408 -2.533 0 CA-C-N 108.433 -3.985 . . . . 0.0 106.411 175.275 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.641 ' HG2' ' CD1' ' A' ' 11' ' ' PHE . 3.6 pm0 -151.6 174.21 13.73 Favored 'General case' 0 C--N 1.379 1.88 0 C-N-CA 119.789 -0.764 . . . . 0.0 109.377 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.641 ' CD1' ' HG2' ' A' ' 10' ' ' GLN . 71.9 m-85 80.87 -78.16 0.03 OUTLIER 'General case' 0 CA--C 1.499 -1.007 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 178.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.754 ' H ' HD12 ' A' ' 12' ' ' ILE . 4.6 mp -75.18 -42.56 44.52 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.812 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.401 ' N ' HD23 ' A' ' 13' ' ' LEU . 4.9 mt -83.47 -52.66 6.31 Favored 'General case' 0 N--CA 1.417 -2.079 0 CA-C-N 114.608 -1.178 . . . . 0.0 110.267 -174.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -113.9 132.2 56.01 Favored 'General case' 0 CA--C 1.497 -1.082 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.9 ptt180 -151.84 163.5 39.08 Favored 'General case' 0 CA--C 1.494 -1.184 0 N-CA-C 106.873 -1.528 . . . . 0.0 106.873 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -97.63 -7.2 31.59 Favored 'General case' 0 CA--C 1.497 -1.094 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 -177.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--O 1.262 1.751 0 CA-C-O 117.872 -1.061 . . . . 0.0 108.246 -179.649 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 120.614 0.245 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 63.4 mtt -132.1 151.34 51.82 Favored 'General case' 0 CA--C 1.488 -1.405 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.502 ' O ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -138.09 91.67 2.59 Favored 'General case' 0 CA--C 1.467 -2.23 0 N-CA-C 106.473 -1.677 . . . . 0.0 106.473 179.433 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.6 ' O ' ' HB2' ' A' ' 7' ' ' PHE . 16.7 mt -121.05 -12.44 8.73 Favored 'General case' 0 N--CA 1.421 -1.904 0 CA-C-N 114.017 -1.447 . . . . 0.0 108.102 -178.531 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.5 p -76.55 -4.83 44.89 Favored 'General case' 0 CA--C 1.484 -1.579 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' DAB . . . . . 0.534 ' HA ' ' HD2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.63 ' C ' ' H ' ' A' ' 9' ' ' ARG . 5.0 m-85 -66.57 -18.96 65.65 Favored 'General case' 0 N--CA 1.397 -3.086 0 CA-C-N 112.157 -2.292 . . . . 0.0 107.993 -177.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.586 ' CE1' ' O ' ' A' ' 4' ' ' LEU . 14.6 m-85 -97.21 36.62 1.42 Allowed 'General case' 0 CA--C 1.46 -2.483 0 CA-C-O 125.022 2.344 . . . . 0.0 106.28 -178.658 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.63 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -155.51 -19.56 0.11 Allowed 'General case' 0 N--CA 1.409 -2.475 1 CA-C-N 108.342 -4.026 . . . . 0.0 106.507 175.43 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.479 ' NE2' ' C ' ' A' ' 6' ' ' DAB . 0.0 OUTLIER -148.48 178.59 8.48 Favored 'General case' 0 C--N 1.382 1.979 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -178.297 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.559 ' HB2' HD12 ' A' ' 12' ' ' ILE . 78.2 m-85 72.59 -76.33 0.07 Allowed 'General case' 0 CA--C 1.502 -0.887 0 CA-C-O 121.119 0.485 . . . . 0.0 110.398 177.233 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.809 ' H ' HD12 ' A' ' 12' ' ' ILE . 4.1 mp -75.84 -43.64 39.64 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.831 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -178.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.4 HD23 ' N ' ' A' ' 13' ' ' LEU . 4.3 mt -83.16 -64.58 1.14 Allowed 'General case' 0 N--CA 1.415 -2.201 0 CA-C-N 114.389 -1.278 . . . . 0.0 109.876 -174.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.8 mm100 58.95 45.32 15.21 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.0 mmt85 -73.78 135.61 43.54 Favored 'General case' 0 CA--C 1.499 -1.003 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -94.37 -11.38 30.05 Favored 'General case' 0 CA--C 1.493 -1.243 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.3 mttt . . . . . 0 C--O 1.262 1.735 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 179.763 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 120.776 0.322 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 66.7 mtt -131.33 151.49 51.46 Favored 'General case' 0 CA--C 1.487 -1.458 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.42 88.09 2.18 Favored 'General case' 0 CA--C 1.467 -2.248 0 CA-C-O 122.977 1.37 . . . . 0.0 107.518 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.605 ' O ' ' HB2' ' A' ' 7' ' ' PHE . 23.0 mt -117.47 -16.03 10.23 Favored 'General case' 0 N--CA 1.421 -1.895 0 CA-C-N 113.926 -1.488 . . . . 0.0 107.563 -179.08 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.5 p -77.33 -2.57 35.6 Favored 'General case' 0 CA--C 1.482 -1.643 0 O-C-N 119.978 -1.701 . . . . 0.0 106.563 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' DAB . . . . . 0.508 ' HA ' ' HD2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.615 ' C ' ' H ' ' A' ' 9' ' ' ARG . 5.3 m-85 -66.21 -19.38 65.81 Favored 'General case' 0 N--CA 1.399 -3.02 0 CA-C-N 112.234 -2.257 . . . . 0.0 107.83 -178.135 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.601 ' CE1' ' O ' ' A' ' 4' ' ' LEU . 13.7 m-85 -97.18 37.27 1.34 Allowed 'General case' 0 CA--C 1.461 -2.444 0 CA-C-O 125.008 2.337 . . . . 0.0 106.28 -178.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.615 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -156.23 -18.74 0.1 Allowed 'General case' 0 N--CA 1.41 -2.438 1 CA-C-N 108.352 -4.022 . . . . 0.0 106.459 175.17 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.479 ' NE2' ' C ' ' A' ' 6' ' ' DAB . 0.0 OUTLIER -148.86 177.93 9.12 Favored 'General case' 0 C--N 1.382 2.013 0 O-C-N 121.545 -0.722 . . . . 0.0 109.092 -178.401 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.583 ' HB2' HD12 ' A' ' 12' ' ' ILE . 81.8 m-85 73.22 -76.63 0.06 Allowed 'General case' 0 CA--C 1.501 -0.917 0 CA-C-O 121.157 0.503 . . . . 0.0 110.212 177.322 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.815 ' H ' HD12 ' A' ' 12' ' ' ILE . 4.2 mp -75.73 -42.77 40.78 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.833 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 -178.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.5 mt -84.77 -52.88 5.73 Favored 'General case' 0 N--CA 1.416 -2.14 0 CA-C-N 114.627 -1.17 . . . . 0.0 110.093 -174.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -108.3 135.49 49.53 Favored 'General case' 0 CA--C 1.497 -1.083 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -127.25 147.52 50.22 Favored 'General case' 0 CA--C 1.497 -1.095 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -95.93 -9.73 30.5 Favored 'General case' 0 CA--C 1.493 -1.229 0 N-CA-C 107.281 -1.378 . . . . 0.0 107.281 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt . . . . . 0 C--O 1.261 1.708 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.94 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 120.77 0.319 . . . . 0.0 110.696 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 79.2 mtm -130.72 150.54 51.85 Favored 'General case' 0 CA--C 1.486 -1.5 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.91 93.17 2.52 Favored 'General case' 0 CA--C 1.465 -2.319 0 CA-C-O 122.971 1.367 . . . . 0.0 107.46 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.536 HD23 ' CD1' ' A' ' 7' ' ' PHE . 67.9 mt -130.39 73.02 1.51 Allowed 'General case' 0 CA--C 1.472 -2.056 0 CA-C-N 113.665 -1.607 . . . . 0.0 107.566 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.403 ' HA ' ' HD1' ' A' ' 8' ' ' PHE . 22.7 p -151.83 -32.05 0.15 Allowed 'General case' 0 CA--C 1.479 -1.753 0 CA-C-N 112.092 -2.322 . . . . 0.0 105.809 177.158 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' DAB . . . . . 0.505 ' C ' ' HG2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.681 ' HD2' HD11 ' A' ' 12' ' ' ILE . 7.6 m-85 -67.63 -20.92 65.39 Favored 'General case' 0 N--CA 1.387 -3.597 0 CA-C-N 111.576 -2.556 . . . . 0.0 109.135 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.646 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 30.2 m-85 -103.97 40.5 1.44 Allowed 'General case' 0 CA--C 1.463 -2.388 0 CA-C-O 125.223 2.44 . . . . 0.0 105.711 -176.327 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.52 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -160.57 -19.64 0.06 Allowed 'General case' 0 N--CA 1.417 -2.122 1 CA-C-N 107.932 -4.213 . . . . 0.0 106.028 176.183 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 6' ' ' DAB . 0.0 OUTLIER -152.32 179.93 8.1 Favored 'General case' 0 C--N 1.382 2.006 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 -179.181 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.633 ' HB2' HD12 ' A' ' 12' ' ' ILE . 58.5 m-85 73.82 -70.39 0.16 Allowed 'General case' 0 C--N 1.357 0.931 0 CA-C-O 121.07 0.462 . . . . 0.0 110.229 177.47 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.712 ' H ' HD12 ' A' ' 12' ' ' ILE . 3.9 mp -83.77 -42.97 17.72 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.754 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -178.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 mt -80.9 -52.21 7.72 Favored 'General case' 0 N--CA 1.42 -1.936 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.148 -174.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -154.2 157.82 39.37 Favored 'General case' 0 CA--C 1.497 -1.074 0 C-N-CA 119.353 -0.939 . . . . 0.0 108.585 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -151.41 159.51 44.2 Favored 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.35 -15.62 39.94 Favored 'General case' 0 CA--C 1.499 -1.013 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -179.088 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt . . . . . 0 C--O 1.261 1.696 0 CA-C-O 117.904 -1.046 . . . . 0.0 108.432 -179.395 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 120.69 0.281 . . . . 0.0 110.748 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 65.8 mtt -131.39 151.31 51.64 Favored 'General case' 0 CA--C 1.485 -1.545 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.4 92.76 2.67 Favored 'General case' 0 CA--C 1.465 -2.322 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.53 HD23 ' CD1' ' A' ' 7' ' ' PHE . 68.8 mt -130.23 73.52 1.54 Allowed 'General case' 0 N--CA 1.418 -2.065 0 CA-C-N 113.629 -1.623 . . . . 0.0 107.614 -179.3 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.403 ' HA ' ' HD1' ' A' ' 8' ' ' PHE . 22.4 p -152.37 -32.18 0.14 Allowed 'General case' 0 CA--C 1.479 -1.766 0 CA-C-N 111.974 -2.376 . . . . 0.0 105.757 177.192 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' DAB . . . . . 0.513 ' C ' ' HG2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.674 ' HD2' HD11 ' A' ' 12' ' ' ILE . 7.8 m-85 -67.72 -21.01 65.32 Favored 'General case' 0 N--CA 1.387 -3.603 0 CA-C-N 111.608 -2.542 . . . . 0.0 109.107 -179.505 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.647 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 29.4 m-85 -103.74 40.41 1.44 Allowed 'General case' 0 CA--C 1.463 -2.393 0 CA-C-O 125.282 2.468 . . . . 0.0 105.786 -176.322 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.513 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -160.56 -19.77 0.06 Allowed 'General case' 0 N--CA 1.417 -2.1 1 CA-C-N 107.908 -4.223 . . . . 0.0 106.037 176.207 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 6' ' ' DAB . 0.0 OUTLIER -151.95 179.86 8.09 Favored 'General case' 0 C--N 1.382 1.983 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 -179.178 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.633 ' HB2' HD12 ' A' ' 12' ' ' ILE . 57.4 m-85 73.72 -72.34 0.12 Allowed 'General case' 0 CA--C 1.501 -0.911 0 CA-C-O 121.133 0.492 . . . . 0.0 109.914 177.655 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.744 ' H ' HD12 ' A' ' 12' ' ' ILE . 3.9 mp -81.22 -42.21 19.68 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.754 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 -179.003 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 mt -84.29 -51.62 6.85 Favored 'General case' 0 N--CA 1.418 -2.04 0 CA-C-N 115.076 -0.966 . . . . 0.0 110.242 -174.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -140.76 134.22 29.93 Favored 'General case' 0 CA--C 1.499 -0.983 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -141.28 158.51 43.79 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.88 -14.86 35.84 Favored 'General case' 0 CA--C 1.499 -0.991 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -179.113 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt . . . . . 0 C--O 1.261 1.658 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 -179.441 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 120.786 0.326 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 79.5 mtm -131.99 150.68 52.09 Favored 'General case' 0 CA--C 1.486 -1.498 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.0 89.5 2.31 Favored 'General case' 0 CA--C 1.468 -2.211 0 CA-C-O 123.032 1.396 . . . . 0.0 107.483 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.602 ' O ' ' CE1' ' A' ' 8' ' ' PHE . 21.6 mt -117.67 -16.41 10.07 Favored 'General case' 0 N--CA 1.422 -1.854 0 CA-C-N 113.681 -1.6 . . . . 0.0 107.321 -179.321 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.6 p -79.85 1.51 26.72 Favored 'General case' 0 CA--C 1.482 -1.653 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' DAB . . . . . 0.551 ' HA ' ' HD2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.603 ' C ' ' H ' ' A' ' 9' ' ' ARG . 4.9 m-85 -66.42 -19.79 65.89 Favored 'General case' 0 N--CA 1.398 -3.042 0 CA-C-N 112.199 -2.273 . . . . 0.0 107.871 -178.016 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' A' ' 4' ' ' LEU . 13.4 m-85 -97.08 37.12 1.34 Allowed 'General case' 0 CA--C 1.46 -2.512 0 CA-C-O 124.962 2.315 . . . . 0.0 106.355 -178.544 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.603 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -155.87 -19.01 0.1 Allowed 'General case' 0 N--CA 1.41 -2.432 0 CA-C-N 108.424 -3.989 . . . . 0.0 106.466 175.321 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.503 ' NE2' ' C ' ' A' ' 6' ' ' DAB . 0.0 OUTLIER -148.55 178.8 8.31 Favored 'General case' 0 C--N 1.382 1.995 0 O-C-N 121.48 -0.762 . . . . 0.0 109.01 -178.431 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.564 ' HB2' HD12 ' A' ' 12' ' ' ILE . 77.4 m-85 72.13 -78.4 0.05 OUTLIER 'General case' 0 CA--C 1.503 -0.858 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.232 177.248 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.803 ' H ' HD12 ' A' ' 12' ' ' ILE . 4.2 mp -73.37 -43.18 56.72 Favored 'Isoleucine or valine' 0 CA--C 1.473 -2.014 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 -178.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.422 ' N ' HD23 ' A' ' 13' ' ' LEU . 4.1 mt -83.36 -82.12 0.16 Allowed 'General case' 0 N--CA 1.412 -2.374 0 CA-C-N 114.376 -1.284 . . . . 0.0 108.7 -175.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -177.15 -88.98 0.0 OUTLIER 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -159.93 166.21 30.58 Favored 'General case' 0 N--CA 1.436 -1.141 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -93.03 -10.4 36.35 Favored 'General case' 0 CA--C 1.495 -1.143 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 -178.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt . . . . . 0 C--O 1.261 1.688 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 -179.548 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 120.725 0.298 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 67.4 mtt -130.05 151.09 50.97 Favored 'General case' 0 CA--C 1.485 -1.539 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.77 92.72 2.77 Favored 'General case' 0 CA--C 1.464 -2.345 0 CA-C-O 122.953 1.359 . . . . 0.0 107.475 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.539 HD23 ' CD1' ' A' ' 7' ' ' PHE . 67.5 mt -130.69 73.11 1.52 Allowed 'General case' 0 N--CA 1.416 -2.129 0 CA-C-N 113.651 -1.613 . . . . 0.0 107.472 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 p -152.12 -31.9 0.15 Allowed 'General case' 0 CA--C 1.478 -1.804 0 CA-C-N 112.041 -2.345 . . . . 0.0 105.838 177.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' DAB . . . . . 0.508 ' C ' ' HG2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.686 ' HD2' HD11 ' A' ' 12' ' ' ILE . 8.0 m-85 -67.43 -21.37 65.57 Favored 'General case' 0 N--CA 1.387 -3.592 0 CA-C-N 111.506 -2.588 . . . . 0.0 109.174 -179.532 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.648 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 29.1 m-85 -103.61 40.46 1.42 Allowed 'General case' 0 CA--C 1.462 -2.405 0 CA-C-O 125.27 2.462 . . . . 0.0 105.882 -176.287 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.508 ' HG2' ' C ' ' A' ' 6' ' ' DAB . 0.5 OUTLIER -160.29 -20.45 0.06 Allowed 'General case' 0 N--CA 1.417 -2.115 1 CA-C-N 107.952 -4.204 . . . . 0.0 105.98 176.213 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.437 ' H ' ' H ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -151.9 -179.37 7.41 Favored 'General case' 0 C--N 1.381 1.966 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 -179.025 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.606 ' HB2' HD12 ' A' ' 12' ' ' ILE . 55.4 m-85 73.42 -72.15 0.12 Allowed 'General case' 0 C--N 1.357 0.932 0 CA-C-O 121.156 0.503 . . . . 0.0 109.968 177.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.74 ' H ' HD12 ' A' ' 12' ' ' ILE . 3.9 mp -81.71 -44.02 20.08 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.822 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 -179.151 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.4 mt -82.97 -50.93 8.05 Favored 'General case' 0 N--CA 1.419 -2.021 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.148 -175.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -97.1 118.25 33.11 Favored 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 84.4 mtt85 -77.83 148.95 34.46 Favored 'General case' 0 N--CA 1.439 -0.98 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -89.17 -13.96 37.17 Favored 'General case' 0 CA--C 1.495 -1.135 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt . . . . . 0 C--O 1.262 1.757 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 120.863 0.364 . . . . 0.0 110.743 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -156.14 163.89 39.07 Favored 'General case' 0 CA--C 1.484 -1.562 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.76 81.52 1.22 Allowed 'General case' 0 CA--C 1.466 -2.284 0 CA-C-O 123.053 1.406 . . . . 0.0 107.44 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.611 ' O ' ' CE1' ' A' ' 8' ' ' PHE . 23.2 mt -112.66 -16.36 12.82 Favored 'General case' 0 N--CA 1.42 -1.954 0 CA-C-N 113.702 -1.59 . . . . 0.0 107.582 -178.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.6 p -78.06 -1.49 32.6 Favored 'General case' 0 CA--C 1.483 -1.61 0 O-C-N 120.012 -1.68 . . . . 0.0 106.483 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' DAB . . . . . 0.5 ' HA ' ' HD2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.608 ' HB2' ' O ' ' A' ' 4' ' ' LEU . 4.8 m-85 -66.12 -19.59 65.89 Favored 'General case' 0 N--CA 1.399 -2.999 0 CA-C-N 112.308 -2.224 . . . . 0.0 107.802 -178.202 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.611 ' CE1' ' O ' ' A' ' 4' ' ' LEU . 13.8 m-85 -97.08 37.43 1.32 Allowed 'General case' 0 CA--C 1.462 -2.426 0 CA-C-O 124.976 2.322 . . . . 0.0 106.2 -178.68 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.606 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -156.24 -19.55 0.1 Allowed 'General case' 0 N--CA 1.41 -2.461 1 CA-C-N 108.347 -4.024 . . . . 0.0 106.394 175.286 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.48 ' NE2' ' C ' ' A' ' 6' ' ' DAB . 0.0 OUTLIER -148.08 178.69 8.33 Favored 'General case' 0 C--N 1.382 1.993 0 CA-C-O 121.589 0.709 . . . . 0.0 109.14 -178.254 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.572 ' HB2' HD12 ' A' ' 12' ' ' ILE . 83.5 m-85 72.71 -77.02 0.06 Allowed 'General case' 0 CA--C 1.502 -0.876 0 CA-C-O 121.259 0.552 . . . . 0.0 110.156 177.319 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.819 ' H ' HD12 ' A' ' 12' ' ' ILE . 4.3 mp -75.31 -42.2 43.56 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.842 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 -178.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.404 HD23 ' N ' ' A' ' 13' ' ' LEU . 4.6 mt -84.89 -52.0 6.32 Favored 'General case' 0 N--CA 1.416 -2.127 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.277 -174.574 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -114.04 140.45 48.44 Favored 'General case' 0 CA--C 1.497 -1.085 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -179.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.9 ptp85 -148.97 159.85 43.83 Favored 'General case' 0 N--CA 1.437 -1.088 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.68 -15.19 37.85 Favored 'General case' 0 CA--C 1.499 -0.989 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 -179.233 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt . . . . . 0 C--O 1.261 1.667 0 CA-C-O 117.901 -1.047 . . . . 0.0 108.545 -179.333 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 120.832 0.348 . . . . 0.0 110.789 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 79.3 mtm -133.37 150.87 51.81 Favored 'General case' 0 CA--C 1.483 -1.599 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.0 109.83 11.55 Favored 'General case' 0 CA--C 1.468 -2.178 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 177.2 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.491 HD23 ' CD1' ' A' ' 7' ' ' PHE . 59.6 mt -132.27 69.83 1.47 Allowed 'General case' 0 N--CA 1.418 -2.061 0 CA-C-O 123.402 1.572 . . . . 0.0 107.987 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.436 ' HA ' ' HD1' ' A' ' 8' ' ' PHE . 19.2 p -154.16 -31.65 0.11 Allowed 'General case' 0 CA--C 1.478 -1.814 0 CA-C-N 111.912 -2.403 . . . . 0.0 105.784 176.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' DAB . . . . . 0.517 ' C ' ' HG2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.639 ' HD2' HD11 ' A' ' 12' ' ' ILE . 6.7 m-85 -68.17 -20.45 64.87 Favored 'General case' 0 N--CA 1.388 -3.545 0 CA-C-N 111.385 -2.643 . . . . 0.0 108.837 -179.156 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.627 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 29.4 m-85 -103.1 39.3 1.58 Allowed 'General case' 0 CA--C 1.462 -2.414 0 CA-C-O 125.205 2.431 . . . . 0.0 105.641 -176.506 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.522 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -157.62 -18.91 0.08 Allowed 'General case' 0 N--CA 1.416 -2.15 1 CA-C-N 108.032 -4.167 . . . . 0.0 105.759 175.803 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.581 ' HG2' ' CD1' ' A' ' 11' ' ' PHE . 3.6 pm0 -155.61 174.43 15.29 Favored 'General case' 0 C--N 1.38 1.924 0 O-C-N 121.378 -0.826 . . . . 0.0 109.224 178.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.592 ' HB2' HD12 ' A' ' 12' ' ' ILE . 43.0 m-85 80.35 -77.83 0.03 OUTLIER 'General case' 0 CA--C 1.499 -0.985 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 178.645 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.744 ' H ' HD12 ' A' ' 12' ' ' ILE . 4.4 mp -74.7 -43.65 47.11 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.907 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 -179.116 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.3 mt -80.79 -77.26 0.21 Allowed 'General case' 0 N--CA 1.416 -2.139 0 CA-C-N 114.769 -1.105 . . . . 0.0 108.836 -175.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -175.2 -102.16 0.0 OUTLIER 'General case' 0 CA--C 1.505 -0.753 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 96.1 mtm-85 -139.13 159.94 40.97 Favored 'General case' 0 CA--C 1.496 -1.128 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.15 -17.58 42.45 Favored 'General case' 0 CA--C 1.497 -1.075 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt . . . . . 0 C--O 1.261 1.663 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 -179.755 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 120.771 0.32 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 67.3 mtt -130.34 151.94 50.29 Favored 'General case' 0 CA--C 1.485 -1.553 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.35 93.58 3.0 Favored 'General case' 0 CA--C 1.465 -2.317 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 179.658 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.521 HD23 ' CD1' ' A' ' 7' ' ' PHE . 68.6 mt -130.63 73.05 1.52 Allowed 'General case' 0 CA--C 1.472 -2.037 0 CA-C-N 113.772 -1.558 . . . . 0.0 107.679 -179.329 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.417 ' HA ' ' HD1' ' A' ' 8' ' ' PHE . 23.2 p -155.99 -24.14 0.1 Allowed 'General case' 0 CA--C 1.479 -1.774 0 CA-C-N 112.167 -2.288 . . . . 0.0 106.481 177.019 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' DAB . . . . . 0.501 ' HA ' ' HD2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.609 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 7.6 m-85 -64.47 -21.22 66.6 Favored 'General case' 0 N--CA 1.395 -3.2 0 CA-C-N 110.599 -3.0 . . . . 0.0 109.702 -177.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.609 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 31.7 m-85 -100.64 35.8 2.07 Favored 'General case' 0 CA--C 1.456 -2.671 0 CA-C-O 125.173 2.416 . . . . 0.0 105.501 -176.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.576 ' H ' ' C ' ' A' ' 7' ' ' PHE . 1.6 mtp180 -151.4 -21.05 0.2 Allowed 'General case' 0 N--CA 1.406 -2.626 1 CA-C-N 108.08 -4.145 . . . . 0.0 106.28 175.749 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.591 ' HG2' ' CD1' ' A' ' 11' ' ' PHE . 5.0 pm0 -155.25 175.82 13.36 Favored 'General case' 0 C--N 1.38 1.916 0 C-N-CA 119.855 -0.738 . . . . 0.0 109.227 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.591 ' CD1' ' HG2' ' A' ' 10' ' ' GLN . 52.8 m-85 80.92 -72.63 0.06 Allowed 'General case' 0 CA--C 1.499 -1.01 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 178.634 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.711 ' H ' HD12 ' A' ' 12' ' ' ILE . 4.1 mp -81.66 -42.54 19.44 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.729 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 mt -82.32 -53.03 6.36 Favored 'General case' 0 N--CA 1.42 -1.936 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.951 -175.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -133.58 127.71 33.65 Favored 'General case' 0 CA--C 1.499 -0.997 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 -178.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.4 ptt85 -139.75 139.17 36.42 Favored 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -72.05 -39.86 68.76 Favored 'General case' 0 CA--C 1.491 -1.291 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.1 mtmt . . . . . 0 C--O 1.259 1.593 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -179.394 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 120.767 0.318 . . . . 0.0 110.747 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 67.2 mtt -131.51 151.35 51.65 Favored 'General case' 0 CA--C 1.482 -1.658 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.41 89.9 3.13 Favored 'General case' 0 CA--C 1.458 -2.576 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.553 HD23 ' CD1' ' A' ' 7' ' ' PHE . 69.5 mt -115.12 74.49 0.88 Allowed 'General case' 0 CA--C 1.472 -2.043 0 CA-C-N 112.929 -1.941 . . . . 0.0 108.872 -177.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.4 ' C ' ' H ' ' A' ' 8' ' ' PHE . 21.6 p -155.19 -32.86 0.1 Allowed 'General case' 0 CA--C 1.48 -1.712 0 CA-C-N 112.046 -2.343 . . . . 0.0 105.834 176.742 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' DAB . . . . . 0.498 ' C ' ' HG2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.668 ' HD2' HD11 ' A' ' 12' ' ' ILE . 9.7 m-85 -68.16 -20.41 64.88 Favored 'General case' 0 N--CA 1.387 -3.603 0 CA-C-N 111.604 -2.544 . . . . 0.0 109.125 -179.281 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.637 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 26.6 m-85 -104.34 39.81 1.59 Allowed 'General case' 0 CA--C 1.464 -2.349 0 CA-C-O 125.117 2.389 . . . . 0.0 105.704 -176.337 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.498 ' HG2' ' C ' ' A' ' 6' ' ' DAB . 0.4 OUTLIER -159.76 -21.26 0.07 Allowed 'General case' 0 N--CA 1.418 -2.069 1 CA-C-N 108.175 -4.102 . . . . 0.0 106.154 176.209 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 6' ' ' DAB . 0.0 OUTLIER -152.09 -174.34 4.84 Favored 'General case' 0 C--N 1.379 1.872 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 -179.235 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.559 ' HB2' HD12 ' A' ' 12' ' ' ILE . 56.6 m-85 70.89 -74.28 0.09 Allowed 'General case' 0 C--N 1.358 0.938 0 CA-C-O 120.969 0.414 . . . . 0.0 109.896 178.197 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.751 ' H ' HD12 ' A' ' 12' ' ' ILE . 3.9 mp -80.82 -47.25 20.56 Favored 'Isoleucine or valine' 0 CA--C 1.476 -1.903 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 -179.242 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 mt -78.91 -45.01 21.46 Favored 'General case' 0 N--CA 1.417 -2.091 0 CA-C-N 114.61 -1.177 . . . . 0.0 107.926 -176.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 78.93 -50.79 0.45 Allowed 'General case' 0 CA--C 1.504 -0.791 0 CA-C-N 115.215 -0.902 . . . . 0.0 108.981 179.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 95.9 mtm-85 -126.88 148.23 50.02 Favored 'General case' 0 CA--C 1.496 -1.111 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -93.87 -9.66 36.51 Favored 'General case' 0 CA--C 1.494 -1.202 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 87.9 tttt . . . . . 0 C--O 1.262 1.757 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 120.758 0.313 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 99.4 mtp -129.79 148.76 51.7 Favored 'General case' 0 CA--C 1.486 -1.492 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.645 ' O ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -144.9 95.32 2.67 Favored 'General case' 0 CA--C 1.468 -2.183 0 CA-C-O 123.151 1.453 . . . . 0.0 107.675 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.645 HD23 ' O ' ' A' ' 3' ' ' ARG . 18.2 mt -123.73 -17.32 6.42 Favored 'General case' 0 N--CA 1.423 -1.824 0 CA-C-N 113.722 -1.581 . . . . 0.0 107.289 179.35 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.1 p -79.56 1.67 25.08 Favored 'General case' 0 CA--C 1.483 -1.609 0 N-CA-C 106.334 -1.728 . . . . 0.0 106.334 -179.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' DAB . . . . . 0.56 ' HA ' ' HD2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.61 ' C ' ' H ' ' A' ' 9' ' ' ARG . 5.4 m-85 -66.56 -19.39 65.77 Favored 'General case' 0 N--CA 1.399 -2.996 0 CA-C-N 112.166 -2.288 . . . . 0.0 107.87 -178.066 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.605 ' CE1' ' O ' ' A' ' 4' ' ' LEU . 13.2 m-85 -97.4 36.86 1.41 Allowed 'General case' 0 CA--C 1.462 -2.434 0 CA-C-O 124.943 2.306 . . . . 0.0 106.224 -178.495 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.61 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -155.67 -19.64 0.11 Allowed 'General case' 0 N--CA 1.41 -2.443 0 CA-C-N 108.514 -3.948 . . . . 0.0 106.58 175.311 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.488 ' NE2' ' C ' ' A' ' 6' ' ' DAB . 0.0 OUTLIER -147.93 -178.4 6.26 Favored 'General case' 0 C--N 1.381 1.973 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 -178.464 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.531 ' HB2' HD12 ' A' ' 12' ' ' ILE . 79.9 m-85 70.4 -79.18 0.04 OUTLIER 'General case' 0 CA--C 1.503 -0.859 0 CA-C-O 121.014 0.435 . . . . 0.0 110.24 177.582 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.826 ' H ' HD12 ' A' ' 12' ' ' ILE . 4.3 mp -73.21 -44.7 55.19 Favored 'Isoleucine or valine' 0 CA--C 1.474 -1.95 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 -178.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.415 ' N ' HD23 ' A' ' 13' ' ' LEU . 4.0 mt -83.23 -49.55 9.32 Favored 'General case' 0 N--CA 1.412 -2.353 0 CA-C-N 114.137 -1.392 . . . . 0.0 108.057 -176.265 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 76.51 -56.15 0.57 Allowed 'General case' 0 C--N 1.355 0.815 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.143 179.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.9 mmt180 -110.63 139.6 45.74 Favored 'General case' 0 CA--C 1.496 -1.11 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.96 -9.25 31.64 Favored 'General case' 0 CA--C 1.493 -1.244 0 N-CA-C 106.573 -1.639 . . . . 0.0 106.573 179.156 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 87.7 tttt . . . . . 0 C--O 1.262 1.715 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 -179.941 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 120.769 0.319 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 79.5 mtm -131.19 150.52 52.11 Favored 'General case' 0 CA--C 1.487 -1.459 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.81 88.73 2.26 Favored 'General case' 0 CA--C 1.467 -2.24 0 CA-C-O 122.973 1.368 . . . . 0.0 107.557 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.602 ' O ' ' CE1' ' A' ' 8' ' ' PHE . 21.8 mt -118.7 -16.59 9.37 Favored 'General case' 0 N--CA 1.421 -1.879 0 CA-C-N 113.728 -1.578 . . . . 0.0 107.326 -179.226 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.5 p -79.05 0.32 28.33 Favored 'General case' 0 CA--C 1.483 -1.605 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' DAB . . . . . 0.545 ' HA ' ' HD2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.621 ' C ' ' H ' ' A' ' 9' ' ' ARG . 4.9 m-85 -66.2 -19.59 65.87 Favored 'General case' 0 N--CA 1.398 -3.04 0 CA-C-N 112.223 -2.262 . . . . 0.0 107.895 -178.198 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' A' ' 4' ' ' LEU . 13.6 m-85 -97.1 37.15 1.34 Allowed 'General case' 0 CA--C 1.462 -2.424 0 CA-C-O 125.025 2.345 . . . . 0.0 106.236 -178.645 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.621 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -156.49 -17.51 0.1 Allowed 'General case' 0 N--CA 1.411 -2.406 1 CA-C-N 108.322 -4.035 . . . . 0.0 106.511 175.24 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.484 ' NE2' ' C ' ' A' ' 6' ' ' DAB . 0.0 OUTLIER -149.5 176.89 10.21 Favored 'General case' 0 C--N 1.383 2.032 0 CA-C-O 121.657 0.741 . . . . 0.0 109.104 -178.568 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.595 ' HB2' HD12 ' A' ' 12' ' ' ILE . 82.9 m-85 73.72 -77.76 0.05 Allowed 'General case' 0 CA--C 1.501 -0.921 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.171 177.195 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.823 ' H ' HD12 ' A' ' 12' ' ' ILE . 4.3 mp -74.5 -42.83 49.23 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.843 0 CA-C-O 121.987 0.898 . . . . 0.0 108.822 -178.374 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.414 ' N ' HD23 ' A' ' 13' ' ' LEU . 5.2 mt -81.82 -50.44 9.22 Favored 'General case' 0 N--CA 1.417 -2.12 0 CA-C-N 114.59 -1.186 . . . . 0.0 110.55 -174.255 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -149.08 151.81 35.09 Favored 'General case' 0 CA--C 1.498 -1.027 0 C-N-CA 119.03 -1.068 . . . . 0.0 108.865 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -76.76 148.97 36.35 Favored 'General case' 0 CA--C 1.5 -0.972 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.79 -22.03 60.9 Favored 'General case' 0 CA--C 1.501 -0.942 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp . . . . . 0 C--O 1.263 1.801 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 -179.935 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 120.721 0.296 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 99.2 mtp -131.56 152.15 51.01 Favored 'General case' 0 CA--C 1.483 -1.625 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.19 114.46 14.5 Favored 'General case' 0 CA--C 1.47 -2.135 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 177.457 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.503 ' HA ' HD23 ' A' ' 4' ' ' LEU . 64.5 mt -131.04 68.6 1.48 Allowed 'General case' 0 CA--C 1.472 -2.032 0 CA-C-O 123.391 1.567 . . . . 0.0 108.458 179.363 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.416 ' HA ' ' HD1' ' A' ' 8' ' ' PHE . 27.5 p -156.84 -21.67 0.09 Allowed 'General case' 0 CA--C 1.479 -1.767 0 CA-C-N 112.062 -2.336 . . . . 0.0 106.714 176.438 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' DAB . . . . . 0.489 ' HA ' ' HD2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.621 ' HD2' HD11 ' A' ' 12' ' ' ILE . 6.9 m-85 -64.47 -21.29 66.62 Favored 'General case' 0 N--CA 1.395 -3.193 0 CA-C-N 110.652 -2.976 . . . . 0.0 109.442 -177.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.609 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 31.3 m-85 -100.41 35.69 2.06 Favored 'General case' 0 CA--C 1.458 -2.595 0 CA-C-O 125.11 2.386 . . . . 0.0 105.419 -176.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.587 ' H ' ' C ' ' A' ' 7' ' ' PHE . 2.0 mtp180 -151.29 -22.74 0.21 Allowed 'General case' 0 N--CA 1.407 -2.619 1 CA-C-N 108.083 -4.144 . . . . 0.0 106.213 175.905 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.596 ' HG2' ' CD1' ' A' ' 11' ' ' PHE . 5.5 pm0 -154.41 177.93 10.62 Favored 'General case' 0 C--N 1.381 1.972 0 O-C-N 121.553 -0.717 . . . . 0.0 109.217 179.412 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.596 ' CD1' ' HG2' ' A' ' 10' ' ' GLN . 53.6 m-85 80.05 -70.85 0.08 Allowed 'General case' 0 CA--C 1.501 -0.909 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.683 ' H ' HD12 ' A' ' 12' ' ' ILE . 4.0 mp -84.23 -44.11 17.81 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.668 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 -179.594 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 mt -79.9 -51.09 9.55 Favored 'General case' 0 N--CA 1.42 -1.95 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.706 -175.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -114.31 132.9 56.01 Favored 'General case' 0 CA--C 1.497 -1.06 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -72.27 143.65 48.67 Favored 'General case' 0 CA--C 1.501 -0.933 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -21.92 59.49 Favored 'General case' 0 CA--C 1.5 -0.943 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt . . . . . 0 C--O 1.262 1.743 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 180.0 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 N--CA 1.488 1.469 0 CA-C-O 121.181 0.515 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 99.3 mtp -130.89 148.52 52.67 Favored 'General case' 0 CA--C 1.488 -1.436 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.51 86.82 1.48 Allowed 'General case' 0 CA--C 1.467 -2.238 0 CA-C-O 123.002 1.382 . . . . 0.0 107.977 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.605 ' O ' ' HB2' ' A' ' 7' ' ' PHE . 24.3 mt -118.49 -16.31 9.54 Favored 'General case' 0 N--CA 1.421 -1.899 0 CA-C-N 113.756 -1.566 . . . . 0.0 107.163 -179.698 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.9 p -79.29 0.82 27.26 Favored 'General case' 0 CA--C 1.482 -1.652 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 -179.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' DAB . . . . . 0.551 ' HA ' ' HD2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.609 ' C ' ' H ' ' A' ' 9' ' ' ARG . 5.8 m-85 -66.48 -19.75 65.87 Favored 'General case' 0 N--CA 1.398 -3.026 0 CA-C-N 112.237 -2.256 . . . . 0.0 107.842 -178.211 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.594 ' CE1' ' O ' ' A' ' 4' ' ' LEU . 13.0 m-85 -97.24 37.74 1.31 Allowed 'General case' 0 CA--C 1.461 -2.457 0 CA-C-O 125.068 2.366 . . . . 0.0 106.191 -178.505 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.609 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -155.86 -22.78 0.11 Allowed 'General case' 0 N--CA 1.41 -2.463 1 CA-C-N 108.252 -4.067 . . . . 0.0 106.235 175.171 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.474 ' NE2' ' C ' ' A' ' 6' ' ' DAB . 0.0 OUTLIER -145.98 -178.21 6.0 Favored 'General case' 0 C--N 1.38 1.923 0 C-N-CA 119.881 -0.728 . . . . 0.0 109.271 -178.149 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.556 ' HB2' HD12 ' A' ' 12' ' ' ILE . 83.6 m-85 71.41 -72.83 0.11 Allowed 'General case' 0 C--N 1.356 0.89 0 CA-C-O 121.03 0.443 . . . . 0.0 110.275 177.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.755 ' H ' HD12 ' A' ' 12' ' ' ILE . 4.0 mp -81.43 -44.78 20.64 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.828 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 -179.536 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.418 ' N ' HD23 ' A' ' 13' ' ' LEU . 3.4 mt -84.88 -46.4 11.34 Favored 'General case' 0 N--CA 1.418 -2.035 0 CA-C-N 114.629 -1.168 . . . . 0.0 108.989 -175.724 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 62.93 48.88 3.75 Favored 'General case' 0 CA--C 1.507 -0.679 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.8 mmp_? -98.11 134.64 40.9 Favored 'General case' 0 CA--C 1.498 -1.043 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -98.1 -11.23 23.09 Favored 'General case' 0 CA--C 1.493 -1.214 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.8 mttm . . . . . 0 C--O 1.261 1.697 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 -179.914 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 120.856 0.36 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 62.9 mtt -131.67 152.14 51.09 Favored 'General case' 0 CA--C 1.485 -1.536 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.722 ' O ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -137.86 109.78 7.19 Favored 'General case' 0 CA--C 1.471 -2.065 0 N-CA-C 105.569 -2.012 . . . . 0.0 105.569 177.209 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.722 HD23 ' O ' ' A' ' 3' ' ' ARG . 20.3 mt -125.59 -20.7 4.65 Favored 'General case' 0 N--CA 1.421 -1.922 0 CA-C-N 114.769 -1.105 . . . . 0.0 108.332 -179.692 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.404 ' HA ' ' CD1' ' A' ' 8' ' ' PHE . 84.9 p -70.87 -13.79 62.16 Favored 'General case' 0 CA--C 1.485 -1.55 0 O-C-N 119.667 -1.896 . . . . 0.0 106.405 -179.551 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' DAB . . . . . 0.467 ' C ' ' HG2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.622 ' HD2' HD11 ' A' ' 12' ' ' ILE . 5.1 m-85 -69.46 -18.05 63.68 Favored 'General case' 0 N--CA 1.391 -3.397 0 CA-C-N 113.332 -1.758 . . . . 0.0 106.838 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.603 ' CE1' ' O ' ' A' ' 4' ' ' LEU . 12.3 m-85 -100.27 40.79 1.22 Allowed 'General case' 0 CA--C 1.469 -2.144 0 CA-C-O 125.073 2.368 . . . . 0.0 106.301 -178.433 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.53 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -161.52 -18.77 0.05 OUTLIER 'General case' 0 N--CA 1.422 -1.871 1 CA-C-N 108.388 -4.005 . . . . 0.0 106.061 175.412 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.43 ' H ' ' H ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -148.73 -178.26 6.24 Favored 'General case' 0 C--N 1.379 1.889 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 -178.624 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.55 ' HB2' HD12 ' A' ' 12' ' ' ILE . 77.5 m-85 69.96 -77.13 0.06 Allowed 'General case' 0 C--N 1.354 0.792 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.619 177.529 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.782 ' H ' HD12 ' A' ' 12' ' ' ILE . 4.3 mp -75.82 -44.49 39.13 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.84 0 CA-C-O 122.168 0.985 . . . . 0.0 108.601 -178.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.419 HD23 ' N ' ' A' ' 13' ' ' LEU . 4.2 mt -81.98 -36.22 28.11 Favored 'General case' 0 N--CA 1.417 -2.112 0 CA-C-N 114.354 -1.294 . . . . 0.0 109.19 -175.309 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -71.26 130.13 40.65 Favored 'General case' 0 CA--C 1.504 -0.821 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -128.45 149.19 50.67 Favored 'General case' 0 CA--C 1.496 -1.108 0 N-CA-C 107.024 -1.472 . . . . 0.0 107.024 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -93.31 -11.58 32.09 Favored 'General case' 0 CA--C 1.494 -1.202 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt . . . . . 0 C--O 1.262 1.721 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 . . . . . 0 N--CA 1.489 1.497 0 CA-C-O 121.065 0.459 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 66.6 mtt -129.82 149.55 51.51 Favored 'General case' 0 CA--C 1.491 -1.305 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.408 ' O ' ' HG2' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -137.04 65.25 1.51 Allowed 'General case' 0 CA--C 1.465 -2.297 0 CA-C-O 123.28 1.514 . . . . 0.0 106.935 -179.562 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.45 HD23 ' CD1' ' A' ' 7' ' ' PHE . 64.6 mt -93.19 73.66 4.63 Favored 'General case' 0 N--CA 1.408 -2.563 0 CA-C-N 113.444 -1.707 . . . . 0.0 109.423 -175.371 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.2 p -160.89 -27.87 0.06 Allowed 'General case' 0 CA--C 1.479 -1.785 0 CA-C-N 111.456 -2.611 . . . . 0.0 105.681 176.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' DAB . . . . . 0.476 ' HA ' ' HD2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.694 ' HD2' HD11 ' A' ' 12' ' ' ILE . 6.5 m-85 -63.19 -21.67 66.37 Favored 'General case' 0 N--CA 1.394 -3.251 0 CA-C-N 110.418 -3.083 . . . . 0.0 109.843 -178.121 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.63 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 30.4 m-85 -101.11 35.87 2.12 Favored 'General case' 0 CA--C 1.455 -2.689 0 CA-C-O 125.113 2.387 . . . . 0.0 105.937 -176.676 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.566 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.7 OUTLIER -153.92 -20.75 0.14 Allowed 'General case' 0 N--CA 1.408 -2.568 1 CA-C-N 108.167 -4.106 . . . . 0.0 106.512 175.924 . . . . . . . . 4 4 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.421 ' NE2' ' C ' ' A' ' 6' ' ' DAB . 0.0 OUTLIER -151.74 -178.98 7.04 Favored 'General case' 0 C--N 1.383 2.052 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -178.684 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.603 ' HB2' HD12 ' A' ' 12' ' ' ILE . 60.4 m-85 73.78 -71.55 0.13 Allowed 'General case' 0 C--N 1.357 0.91 0 CA-C-O 121.099 0.476 . . . . 0.0 109.855 177.691 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.733 ' H ' HD12 ' A' ' 12' ' ' ILE . 3.9 mp -82.52 -44.05 19.22 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.763 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 -179.261 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.9 mt -82.07 -53.53 6.03 Favored 'General case' 0 N--CA 1.419 -2.018 0 CA-C-N 114.924 -1.034 . . . . 0.0 109.203 -175.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -107.88 115.61 30.45 Favored 'General case' 0 CA--C 1.498 -1.02 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 -80.98 152.85 27.78 Favored 'General case' 0 CA--C 1.498 -1.035 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.2 -20.64 61.54 Favored 'General case' 0 CA--C 1.5 -0.96 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.485 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.261 1.708 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 179.852 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 120.759 0.314 . . . . 0.0 110.64 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 67.4 mtt -134.2 162.59 31.72 Favored 'General case' 0 CA--C 1.481 -1.704 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.602 ' HG2' ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -93.47 -78.23 0.43 Allowed 'General case' 0 N--CA 1.423 -1.801 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 -179.271 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.602 ' H ' ' HG2' ' A' ' 3' ' ' ARG . 17.2 mt 65.4 39.03 5.41 Favored 'General case' 0 CA--C 1.482 -1.673 0 CA-C-O 123.165 1.459 . . . . 0.0 109.223 176.535 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.425 ' C ' ' H ' ' A' ' 8' ' ' PHE . 22.7 p -147.36 -35.28 0.24 Allowed 'General case' 0 CA--C 1.475 -1.907 0 N-CA-C 104.121 -2.548 . . . . 0.0 104.121 174.091 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' DAB . . . . . 0.479 ' C ' ' HG2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.672 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 3.3 m-85 -66.18 -22.14 66.35 Favored 'General case' 0 N--CA 1.39 -3.455 0 CA-C-N 111.499 -2.591 . . . . 0.0 108.517 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.672 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 33.2 m-85 -104.94 41.77 1.3 Allowed 'General case' 0 CA--C 1.463 -2.367 0 CA-C-O 125.085 2.374 . . . . 0.0 106.678 -175.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.479 ' HG2' ' C ' ' A' ' 6' ' ' DAB . 0.3 OUTLIER -161.97 -19.27 0.04 OUTLIER 'General case' 0 N--CA 1.424 -1.759 1 CA-C-N 108.309 -4.041 . . . . 0.0 106.585 176.204 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 6' ' ' DAB . 0.0 OUTLIER -150.93 -166.69 2.61 Favored 'General case' 0 C--N 1.37 1.46 0 N-CA-C 106.742 -1.577 . . . . 0.0 106.742 -178.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.655 ' HB2' HD12 ' A' ' 12' ' ' ILE . 96.7 m-85 65.77 -84.76 0.03 OUTLIER 'General case' 0 C--N 1.356 0.877 0 CA-C-O 121.524 0.678 . . . . 0.0 109.848 178.006 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.841 ' H ' HD12 ' A' ' 12' ' ' ILE . 4.4 mp -73.05 -41.75 59.34 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.723 0 CA-C-N 115.082 -0.963 . . . . 0.0 108.901 -178.181 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 mt -83.45 -35.33 25.05 Favored 'General case' 0 N--CA 1.419 -2.022 0 CA-C-N 115.014 -0.994 . . . . 0.0 108.65 -175.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -62.99 -45.22 93.45 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.74 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 91.6 mtm180 -137.77 147.63 44.83 Favored 'General case' 0 CA--C 1.494 -1.194 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.5 mmtt -96.35 -3.74 43.24 Favored 'General case' 0 CA--C 1.5 -0.96 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 -178.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt . . . . . 0 C--O 1.262 1.734 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -179.928 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 34.0 tp10 . . . . . 0 N--CA 1.488 1.457 0 CA-C-O 121.266 0.555 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 99.4 mtp -132.96 151.2 52.09 Favored 'General case' 0 CA--C 1.485 -1.52 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.98 93.52 2.56 Favored 'General case' 0 CA--C 1.465 -2.293 0 CA-C-O 123.013 1.387 . . . . 0.0 107.711 179.654 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.543 HD23 ' CD1' ' A' ' 7' ' ' PHE . 68.5 mt -131.74 73.05 1.51 Allowed 'General case' 0 CA--C 1.471 -2.081 0 CA-C-N 113.614 -1.63 . . . . 0.0 107.383 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.444 ' HA ' ' HD1' ' A' ' 8' ' ' PHE . 33.8 p -155.28 -22.99 0.11 Allowed 'General case' 0 CA--C 1.48 -1.741 0 CA-C-N 112.11 -2.314 . . . . 0.0 106.554 177.244 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' DAB . . . . . 0.502 ' HA ' ' HD2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.674 ' HD2' HD11 ' A' ' 12' ' ' ILE . 9.2 m-85 -63.16 -21.58 66.3 Favored 'General case' 0 N--CA 1.395 -3.179 0 CA-C-N 110.345 -3.116 . . . . 0.0 110.095 -177.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.635 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 32.6 m-85 -101.24 35.53 2.23 Favored 'General case' 0 CA--C 1.456 -2.646 0 CA-C-O 125.201 2.429 . . . . 0.0 105.78 -176.527 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.572 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -153.83 -20.53 0.14 Allowed 'General case' 0 N--CA 1.408 -2.538 1 CA-C-N 108.066 -4.152 . . . . 0.0 106.535 175.963 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.409 ' NE2' ' C ' ' A' ' 6' ' ' DAB . 0.0 OUTLIER -151.99 -179.12 7.2 Favored 'General case' 0 C--N 1.383 2.029 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 -178.758 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.609 ' HB2' HD12 ' A' ' 12' ' ' ILE . 61.3 m-85 73.92 -70.18 0.16 Allowed 'General case' 0 C--N 1.356 0.878 0 CA-C-O 121.145 0.498 . . . . 0.0 109.844 177.62 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.725 ' H ' HD12 ' A' ' 12' ' ' ILE . 3.7 mp -84.7 -42.29 16.56 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.743 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.151 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.0 mt -83.69 -54.23 5.07 Favored 'General case' 0 N--CA 1.42 -1.951 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.964 -175.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -127.67 127.59 44.01 Favored 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 -178.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -149.44 161.04 42.88 Favored 'General case' 0 CA--C 1.49 -1.342 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -118.45 80.36 1.52 Allowed 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 179.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 88.1 tttt . . . . . 0 C--O 1.262 1.75 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 179.739 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 120.802 0.334 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 99.4 mtp -130.9 150.2 52.17 Favored 'General case' 0 CA--C 1.486 -1.504 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.05 95.11 2.75 Favored 'General case' 0 CA--C 1.465 -2.293 0 CA-C-O 123.1 1.428 . . . . 0.0 107.507 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.545 HD23 ' CD1' ' A' ' 7' ' ' PHE . 65.7 mt -132.23 72.99 1.51 Allowed 'General case' 0 CA--C 1.471 -2.06 0 CA-C-N 113.542 -1.663 . . . . 0.0 107.464 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.42 ' C ' ' H ' ' A' ' 8' ' ' PHE . 24.7 p -152.89 -31.21 0.13 Allowed 'General case' 0 CA--C 1.48 -1.747 0 CA-C-N 112.034 -2.348 . . . . 0.0 105.971 177.437 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' DAB . . . . . 0.494 ' C ' ' HG2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.693 ' HD2' HD11 ' A' ' 12' ' ' ILE . 9.7 m-85 -67.8 -21.19 65.24 Favored 'General case' 0 N--CA 1.387 -3.592 0 CA-C-N 111.599 -2.546 . . . . 0.0 109.066 -179.487 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.664 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 27.3 m-85 -103.99 40.57 1.42 Allowed 'General case' 0 CA--C 1.463 -2.391 0 CA-C-O 125.223 2.439 . . . . 0.0 105.867 -176.127 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.494 ' HG2' ' C ' ' A' ' 6' ' ' DAB . 0.4 OUTLIER -159.8 -22.97 0.07 Allowed 'General case' 0 N--CA 1.417 -2.088 1 CA-C-N 108.082 -4.145 . . . . 0.0 105.967 176.082 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.447 ' H ' ' H ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -150.87 -175.92 5.32 Favored 'General case' 0 C--N 1.379 1.876 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -178.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.578 ' HB2' HD12 ' A' ' 12' ' ' ILE . 49.7 m-85 72.06 -69.6 0.18 Allowed 'General case' 0 C--N 1.359 0.984 0 CA-C-O 120.93 0.395 . . . . 0.0 110.032 178.201 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.697 ' H ' HD12 ' A' ' 12' ' ' ILE . 3.8 mp -85.86 -46.3 16.92 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.787 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.6 mt -81.74 -47.42 12.93 Favored 'General case' 0 N--CA 1.421 -1.915 0 CA-C-N 114.868 -1.06 . . . . 0.0 108.857 -176.14 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 60.92 50.61 5.09 Favored 'General case' 0 CA--C 1.506 -0.747 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -79.56 152.92 29.85 Favored 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -88.77 -10.45 48.22 Favored 'General case' 0 CA--C 1.495 -1.152 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.6 mttt . . . . . 0 C--O 1.262 1.727 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 179.837 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 N--CA 1.489 1.497 0 CA-C-O 120.744 0.307 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 14.9 mmt -133.78 156.55 47.8 Favored 'General case' 0 CA--C 1.486 -1.512 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.576 ' O ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -142.15 93.28 2.52 Favored 'General case' 0 CA--C 1.468 -2.184 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.606 ' O ' ' HB2' ' A' ' 7' ' ' PHE . 18.0 mt -123.37 -17.21 6.62 Favored 'General case' 0 N--CA 1.422 -1.837 0 CA-C-N 113.841 -1.527 . . . . 0.0 107.354 -179.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.2 p . . . . . 0 CA--C 1.48 -1.715 0 N-CA-C 106.225 -1.768 . . . . 0.0 106.225 -179.395 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.629 ' C ' ' H ' ' A' ' 9' ' ' ARG . 5.3 m-85 . . . . . 0 N--CA 1.4 -2.945 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' A' ' 4' ' ' LEU . 12.4 m-85 -96.3 36.95 1.29 Allowed 'General case' 0 CA--C 1.462 -2.437 0 CA-C-O 124.951 2.31 . . . . 0.0 105.97 -178.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.629 ' H ' ' C ' ' A' ' 7' ' ' PHE . 1.1 mtp180 -153.19 -21.98 0.15 Allowed 'General case' 0 N--CA 1.408 -2.533 0 CA-C-N 108.433 -3.985 . . . . 0.0 106.411 175.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.641 ' HG2' ' CD1' ' A' ' 11' ' ' PHE . 3.6 pm0 -151.6 174.21 13.73 Favored 'General case' 0 C--N 1.379 1.88 0 C-N-CA 119.789 -0.764 . . . . 0.0 109.377 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.641 ' CD1' ' HG2' ' A' ' 10' ' ' GLN . 71.9 m-85 80.87 -78.16 0.03 OUTLIER 'General case' 0 CA--C 1.499 -1.007 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 178.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.754 ' H ' HD12 ' A' ' 12' ' ' ILE . 4.6 mp -75.18 -42.56 44.52 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.812 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.401 ' N ' HD23 ' A' ' 13' ' ' LEU . 4.9 mt -83.47 -52.66 6.31 Favored 'General case' 0 N--CA 1.417 -2.079 0 CA-C-N 114.608 -1.178 . . . . 0.0 110.267 -174.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -113.9 132.2 56.01 Favored 'General case' 0 CA--C 1.497 -1.082 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.9 ptt180 -151.84 163.5 39.08 Favored 'General case' 0 CA--C 1.494 -1.184 0 N-CA-C 106.873 -1.528 . . . . 0.0 106.873 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -97.63 -7.2 31.59 Favored 'General case' 0 CA--C 1.497 -1.094 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 -177.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--O 1.262 1.751 0 CA-C-O 117.872 -1.061 . . . . 0.0 108.246 -179.649 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 120.614 0.245 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 63.4 mtt -132.1 151.34 51.82 Favored 'General case' 0 CA--C 1.488 -1.405 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.502 ' O ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -138.09 91.67 2.59 Favored 'General case' 0 CA--C 1.467 -2.23 0 N-CA-C 106.473 -1.677 . . . . 0.0 106.473 179.433 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.6 ' O ' ' HB2' ' A' ' 7' ' ' PHE . 16.7 mt -121.05 -12.44 8.73 Favored 'General case' 0 N--CA 1.421 -1.904 0 CA-C-N 114.017 -1.447 . . . . 0.0 108.102 -178.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.5 p . . . . . 0 CA--C 1.484 -1.579 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 -179.738 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.63 ' C ' ' H ' ' A' ' 9' ' ' ARG . 5.0 m-85 . . . . . 0 N--CA 1.397 -3.086 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.586 ' CE1' ' O ' ' A' ' 4' ' ' LEU . 14.6 m-85 -97.21 36.62 1.42 Allowed 'General case' 0 CA--C 1.46 -2.483 0 CA-C-O 125.022 2.344 . . . . 0.0 106.28 -178.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.63 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -155.51 -19.56 0.11 Allowed 'General case' 0 N--CA 1.409 -2.475 1 CA-C-N 108.342 -4.026 . . . . 0.0 106.507 175.43 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.41 ' H ' ' H ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -148.48 178.59 8.48 Favored 'General case' 0 C--N 1.382 1.979 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -178.297 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.559 ' HB2' HD12 ' A' ' 12' ' ' ILE . 78.2 m-85 72.59 -76.33 0.07 Allowed 'General case' 0 CA--C 1.502 -0.887 0 CA-C-O 121.119 0.485 . . . . 0.0 110.398 177.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.809 ' H ' HD12 ' A' ' 12' ' ' ILE . 4.1 mp -75.84 -43.64 39.64 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.831 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -178.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.4 HD23 ' N ' ' A' ' 13' ' ' LEU . 4.3 mt -83.16 -64.58 1.14 Allowed 'General case' 0 N--CA 1.415 -2.201 0 CA-C-N 114.389 -1.278 . . . . 0.0 109.876 -174.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.8 mm100 58.95 45.32 15.21 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.0 mmt85 -73.78 135.61 43.54 Favored 'General case' 0 CA--C 1.499 -1.003 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -94.37 -11.38 30.05 Favored 'General case' 0 CA--C 1.493 -1.243 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.3 mttt . . . . . 0 C--O 1.262 1.735 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 179.763 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 120.776 0.322 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 66.7 mtt -131.33 151.49 51.46 Favored 'General case' 0 CA--C 1.487 -1.458 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.42 88.09 2.18 Favored 'General case' 0 CA--C 1.467 -2.248 0 CA-C-O 122.977 1.37 . . . . 0.0 107.518 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.605 ' O ' ' HB2' ' A' ' 7' ' ' PHE . 23.0 mt -117.47 -16.03 10.23 Favored 'General case' 0 N--CA 1.421 -1.895 0 CA-C-N 113.926 -1.488 . . . . 0.0 107.563 -179.08 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.5 p . . . . . 0 CA--C 1.482 -1.643 0 O-C-N 119.978 -1.701 . . . . 0.0 106.563 -179.498 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.615 ' C ' ' H ' ' A' ' 9' ' ' ARG . 5.3 m-85 . . . . . 0 N--CA 1.399 -3.02 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.601 ' CE1' ' O ' ' A' ' 4' ' ' LEU . 13.7 m-85 -97.18 37.27 1.34 Allowed 'General case' 0 CA--C 1.461 -2.444 0 CA-C-O 125.008 2.337 . . . . 0.0 106.28 -178.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.615 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -156.23 -18.74 0.1 Allowed 'General case' 0 N--CA 1.41 -2.438 1 CA-C-N 108.352 -4.022 . . . . 0.0 106.459 175.17 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -148.86 177.93 9.12 Favored 'General case' 0 C--N 1.382 2.013 0 O-C-N 121.545 -0.722 . . . . 0.0 109.092 -178.401 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.583 ' HB2' HD12 ' A' ' 12' ' ' ILE . 81.8 m-85 73.22 -76.63 0.06 Allowed 'General case' 0 CA--C 1.501 -0.917 0 CA-C-O 121.157 0.503 . . . . 0.0 110.212 177.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.815 HD12 ' H ' ' A' ' 12' ' ' ILE . 4.2 mp -75.73 -42.77 40.78 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.833 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 -178.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.5 mt -84.77 -52.88 5.73 Favored 'General case' 0 N--CA 1.416 -2.14 0 CA-C-N 114.627 -1.17 . . . . 0.0 110.093 -174.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -108.3 135.49 49.53 Favored 'General case' 0 CA--C 1.497 -1.083 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -127.25 147.52 50.22 Favored 'General case' 0 CA--C 1.497 -1.095 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -95.93 -9.73 30.5 Favored 'General case' 0 CA--C 1.493 -1.229 0 N-CA-C 107.281 -1.378 . . . . 0.0 107.281 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt . . . . . 0 C--O 1.261 1.708 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.94 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 120.77 0.319 . . . . 0.0 110.696 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 79.2 mtm -130.72 150.54 51.85 Favored 'General case' 0 CA--C 1.486 -1.5 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.91 93.17 2.52 Favored 'General case' 0 CA--C 1.465 -2.319 0 CA-C-O 122.971 1.367 . . . . 0.0 107.46 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.536 HD23 ' CD1' ' A' ' 7' ' ' PHE . 67.9 mt -130.39 73.02 1.51 Allowed 'General case' 0 CA--C 1.472 -2.056 0 CA-C-N 113.665 -1.607 . . . . 0.0 107.566 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.403 ' HA ' ' HD1' ' A' ' 8' ' ' PHE . 22.7 p . . . . . 0 CA--C 1.479 -1.753 0 CA-C-N 112.092 -2.322 . . . . 0.0 105.809 177.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.681 ' HD2' HD11 ' A' ' 12' ' ' ILE . 7.6 m-85 . . . . . 0 N--CA 1.387 -3.597 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.646 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 30.2 m-85 -103.97 40.5 1.44 Allowed 'General case' 0 CA--C 1.463 -2.388 0 CA-C-O 125.223 2.44 . . . . 0.0 105.711 -176.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.52 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -160.57 -19.64 0.06 Allowed 'General case' 0 N--CA 1.417 -2.122 1 CA-C-N 107.932 -4.213 . . . . 0.0 106.028 176.183 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.32 179.93 8.1 Favored 'General case' 0 C--N 1.382 2.006 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 -179.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.633 ' HB2' HD12 ' A' ' 12' ' ' ILE . 58.5 m-85 73.82 -70.39 0.16 Allowed 'General case' 0 C--N 1.357 0.931 0 CA-C-O 121.07 0.462 . . . . 0.0 110.229 177.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.712 HD12 ' H ' ' A' ' 12' ' ' ILE . 3.9 mp -83.77 -42.97 17.72 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.754 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -178.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 mt -80.9 -52.21 7.72 Favored 'General case' 0 N--CA 1.42 -1.936 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.148 -174.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -154.2 157.82 39.37 Favored 'General case' 0 CA--C 1.497 -1.074 0 C-N-CA 119.353 -0.939 . . . . 0.0 108.585 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -151.41 159.51 44.2 Favored 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.35 -15.62 39.94 Favored 'General case' 0 CA--C 1.499 -1.013 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -179.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt . . . . . 0 C--O 1.261 1.696 0 CA-C-O 117.904 -1.046 . . . . 0.0 108.432 -179.395 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 120.69 0.281 . . . . 0.0 110.748 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 65.8 mtt -131.39 151.31 51.64 Favored 'General case' 0 CA--C 1.485 -1.545 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.4 92.76 2.67 Favored 'General case' 0 CA--C 1.465 -2.322 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.53 HD23 ' CD1' ' A' ' 7' ' ' PHE . 68.8 mt -130.23 73.52 1.54 Allowed 'General case' 0 N--CA 1.418 -2.065 0 CA-C-N 113.629 -1.623 . . . . 0.0 107.614 -179.3 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.403 ' HA ' ' HD1' ' A' ' 8' ' ' PHE . 22.4 p . . . . . 0 CA--C 1.479 -1.766 0 CA-C-N 111.974 -2.376 . . . . 0.0 105.757 177.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.674 ' HD2' HD11 ' A' ' 12' ' ' ILE . 7.8 m-85 . . . . . 0 N--CA 1.387 -3.603 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.647 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 29.4 m-85 -103.74 40.41 1.44 Allowed 'General case' 0 CA--C 1.463 -2.393 0 CA-C-O 125.282 2.468 . . . . 0.0 105.786 -176.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.513 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -160.56 -19.77 0.06 Allowed 'General case' 0 N--CA 1.417 -2.1 1 CA-C-N 107.908 -4.223 . . . . 0.0 106.037 176.207 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.95 179.86 8.09 Favored 'General case' 0 C--N 1.382 1.983 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 -179.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.633 ' HB2' HD12 ' A' ' 12' ' ' ILE . 57.4 m-85 73.72 -72.34 0.12 Allowed 'General case' 0 CA--C 1.501 -0.911 0 CA-C-O 121.133 0.492 . . . . 0.0 109.914 177.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.744 HD12 ' H ' ' A' ' 12' ' ' ILE . 3.9 mp -81.22 -42.21 19.68 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.754 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 -179.003 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 mt -84.29 -51.62 6.85 Favored 'General case' 0 N--CA 1.418 -2.04 0 CA-C-N 115.076 -0.966 . . . . 0.0 110.242 -174.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -140.76 134.22 29.93 Favored 'General case' 0 CA--C 1.499 -0.983 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -141.28 158.51 43.79 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.88 -14.86 35.84 Favored 'General case' 0 CA--C 1.499 -0.991 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -179.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt . . . . . 0 C--O 1.261 1.658 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 -179.441 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 120.786 0.326 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 79.5 mtm -131.99 150.68 52.09 Favored 'General case' 0 CA--C 1.486 -1.498 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.0 89.5 2.31 Favored 'General case' 0 CA--C 1.468 -2.211 0 CA-C-O 123.032 1.396 . . . . 0.0 107.483 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.602 ' O ' ' CE1' ' A' ' 8' ' ' PHE . 21.6 mt -117.67 -16.41 10.07 Favored 'General case' 0 N--CA 1.422 -1.854 0 CA-C-N 113.681 -1.6 . . . . 0.0 107.321 -179.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.6 p . . . . . 0 CA--C 1.482 -1.653 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 -179.335 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.603 ' C ' ' H ' ' A' ' 9' ' ' ARG . 4.9 m-85 . . . . . 0 N--CA 1.398 -3.042 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' A' ' 4' ' ' LEU . 13.4 m-85 -97.08 37.12 1.34 Allowed 'General case' 0 CA--C 1.46 -2.512 0 CA-C-O 124.962 2.315 . . . . 0.0 106.355 -178.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.603 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -155.87 -19.01 0.1 Allowed 'General case' 0 N--CA 1.41 -2.432 0 CA-C-N 108.424 -3.989 . . . . 0.0 106.466 175.321 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.55 178.8 8.31 Favored 'General case' 0 C--N 1.382 1.995 0 O-C-N 121.48 -0.762 . . . . 0.0 109.01 -178.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.564 ' HB2' HD12 ' A' ' 12' ' ' ILE . 77.4 m-85 72.13 -78.4 0.05 OUTLIER 'General case' 0 CA--C 1.503 -0.858 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.232 177.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.803 HD12 ' H ' ' A' ' 12' ' ' ILE . 4.2 mp -73.37 -43.18 56.72 Favored 'Isoleucine or valine' 0 CA--C 1.473 -2.014 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 -178.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.422 ' N ' HD23 ' A' ' 13' ' ' LEU . 4.1 mt -83.36 -82.12 0.16 Allowed 'General case' 0 N--CA 1.412 -2.374 0 CA-C-N 114.376 -1.284 . . . . 0.0 108.7 -175.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -177.15 -88.98 0.0 OUTLIER 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -159.93 166.21 30.58 Favored 'General case' 0 N--CA 1.436 -1.141 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -93.03 -10.4 36.35 Favored 'General case' 0 CA--C 1.495 -1.143 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 -178.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt . . . . . 0 C--O 1.261 1.688 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 -179.548 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 120.725 0.298 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 67.4 mtt -130.05 151.09 50.97 Favored 'General case' 0 CA--C 1.485 -1.539 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.77 92.72 2.77 Favored 'General case' 0 CA--C 1.464 -2.345 0 CA-C-O 122.953 1.359 . . . . 0.0 107.475 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.539 HD23 ' CD1' ' A' ' 7' ' ' PHE . 67.5 mt -130.69 73.11 1.52 Allowed 'General case' 0 N--CA 1.416 -2.129 0 CA-C-N 113.651 -1.613 . . . . 0.0 107.472 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 p . . . . . 0 CA--C 1.478 -1.804 0 CA-C-N 112.041 -2.345 . . . . 0.0 105.838 177.335 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.686 ' HD2' HD11 ' A' ' 12' ' ' ILE . 8.0 m-85 . . . . . 0 N--CA 1.387 -3.592 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.648 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 29.1 m-85 -103.61 40.46 1.42 Allowed 'General case' 0 CA--C 1.462 -2.405 0 CA-C-O 125.27 2.462 . . . . 0.0 105.882 -176.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.504 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -160.29 -20.45 0.06 Allowed 'General case' 0 N--CA 1.417 -2.115 1 CA-C-N 107.952 -4.204 . . . . 0.0 105.98 176.213 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.437 ' H ' ' H ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -151.9 -179.37 7.41 Favored 'General case' 0 C--N 1.381 1.966 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 -179.025 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.606 ' HB2' HD12 ' A' ' 12' ' ' ILE . 55.4 m-85 73.42 -72.15 0.12 Allowed 'General case' 0 C--N 1.357 0.932 0 CA-C-O 121.156 0.503 . . . . 0.0 109.968 177.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.74 HD12 ' H ' ' A' ' 12' ' ' ILE . 3.9 mp -81.71 -44.02 20.08 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.822 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 -179.151 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.4 mt -82.97 -50.93 8.05 Favored 'General case' 0 N--CA 1.419 -2.021 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.148 -175.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -97.1 118.25 33.11 Favored 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 84.4 mtt85 -77.83 148.95 34.46 Favored 'General case' 0 N--CA 1.439 -0.98 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -89.17 -13.96 37.17 Favored 'General case' 0 CA--C 1.495 -1.135 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt . . . . . 0 C--O 1.262 1.757 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 120.863 0.364 . . . . 0.0 110.743 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -156.14 163.89 39.07 Favored 'General case' 0 CA--C 1.484 -1.562 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.76 81.52 1.22 Allowed 'General case' 0 CA--C 1.466 -2.284 0 CA-C-O 123.053 1.406 . . . . 0.0 107.44 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.611 ' O ' ' CE1' ' A' ' 8' ' ' PHE . 23.2 mt -112.66 -16.36 12.82 Favored 'General case' 0 N--CA 1.42 -1.954 0 CA-C-N 113.702 -1.59 . . . . 0.0 107.582 -178.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.6 p . . . . . 0 CA--C 1.483 -1.61 0 O-C-N 120.012 -1.68 . . . . 0.0 106.483 -179.451 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.608 ' HB2' ' O ' ' A' ' 4' ' ' LEU . 4.8 m-85 . . . . . 0 N--CA 1.399 -2.999 0 N-CA-C 107.802 -1.185 . . . . 0.0 107.802 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.611 ' CE1' ' O ' ' A' ' 4' ' ' LEU . 13.8 m-85 -97.08 37.43 1.32 Allowed 'General case' 0 CA--C 1.462 -2.426 0 CA-C-O 124.976 2.322 . . . . 0.0 106.2 -178.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.606 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -156.24 -19.55 0.1 Allowed 'General case' 0 N--CA 1.41 -2.461 1 CA-C-N 108.347 -4.024 . . . . 0.0 106.394 175.286 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -148.08 178.69 8.33 Favored 'General case' 0 C--N 1.382 1.993 0 CA-C-O 121.589 0.709 . . . . 0.0 109.14 -178.254 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.572 ' HB2' HD12 ' A' ' 12' ' ' ILE . 83.5 m-85 72.71 -77.02 0.06 Allowed 'General case' 0 CA--C 1.502 -0.876 0 CA-C-O 121.259 0.552 . . . . 0.0 110.156 177.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.819 HD12 ' H ' ' A' ' 12' ' ' ILE . 4.3 mp -75.31 -42.2 43.56 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.842 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 -178.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.404 HD23 ' N ' ' A' ' 13' ' ' LEU . 4.6 mt -84.89 -52.0 6.32 Favored 'General case' 0 N--CA 1.416 -2.127 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.277 -174.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -114.04 140.45 48.44 Favored 'General case' 0 CA--C 1.497 -1.085 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -179.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.9 ptp85 -148.97 159.85 43.83 Favored 'General case' 0 N--CA 1.437 -1.088 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.68 -15.19 37.85 Favored 'General case' 0 CA--C 1.499 -0.989 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 -179.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt . . . . . 0 C--O 1.261 1.667 0 CA-C-O 117.901 -1.047 . . . . 0.0 108.545 -179.333 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 120.832 0.348 . . . . 0.0 110.789 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 79.3 mtm -133.37 150.87 51.81 Favored 'General case' 0 CA--C 1.483 -1.599 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.0 109.83 11.55 Favored 'General case' 0 CA--C 1.468 -2.178 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 177.2 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.491 HD23 ' CD1' ' A' ' 7' ' ' PHE . 59.6 mt -132.27 69.83 1.47 Allowed 'General case' 0 N--CA 1.418 -2.061 0 CA-C-O 123.402 1.572 . . . . 0.0 107.987 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.436 ' HA ' ' HD1' ' A' ' 8' ' ' PHE . 19.2 p . . . . . 0 CA--C 1.478 -1.814 0 CA-C-N 111.912 -2.403 . . . . 0.0 105.784 176.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.639 ' HD2' HD11 ' A' ' 12' ' ' ILE . 6.7 m-85 . . . . . 0 N--CA 1.388 -3.545 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.627 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 29.4 m-85 -103.1 39.3 1.58 Allowed 'General case' 0 CA--C 1.462 -2.414 0 CA-C-O 125.205 2.431 . . . . 0.0 105.641 -176.506 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.522 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -157.62 -18.91 0.08 Allowed 'General case' 0 N--CA 1.416 -2.15 1 CA-C-N 108.032 -4.167 . . . . 0.0 105.759 175.803 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.581 ' HG2' ' CD1' ' A' ' 11' ' ' PHE . 3.6 pm0 -155.61 174.43 15.29 Favored 'General case' 0 C--N 1.38 1.924 0 O-C-N 121.378 -0.826 . . . . 0.0 109.224 178.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.592 ' HB2' HD12 ' A' ' 12' ' ' ILE . 43.0 m-85 80.35 -77.83 0.03 OUTLIER 'General case' 0 CA--C 1.499 -0.985 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 178.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.744 HD12 ' H ' ' A' ' 12' ' ' ILE . 4.4 mp -74.7 -43.65 47.11 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.907 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 -179.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.3 mt -80.79 -77.26 0.21 Allowed 'General case' 0 N--CA 1.416 -2.139 0 CA-C-N 114.769 -1.105 . . . . 0.0 108.836 -175.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -175.2 -102.16 0.0 OUTLIER 'General case' 0 CA--C 1.505 -0.753 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 96.1 mtm-85 -139.13 159.94 40.97 Favored 'General case' 0 CA--C 1.496 -1.128 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.15 -17.58 42.45 Favored 'General case' 0 CA--C 1.497 -1.075 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt . . . . . 0 C--O 1.261 1.663 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 -179.755 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 120.771 0.32 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 67.3 mtt -130.34 151.94 50.29 Favored 'General case' 0 CA--C 1.485 -1.553 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.35 93.58 3.0 Favored 'General case' 0 CA--C 1.465 -2.317 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 179.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.521 HD23 ' CD1' ' A' ' 7' ' ' PHE . 68.6 mt -130.63 73.05 1.52 Allowed 'General case' 0 CA--C 1.472 -2.037 0 CA-C-N 113.772 -1.558 . . . . 0.0 107.679 -179.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.417 ' HA ' ' HD1' ' A' ' 8' ' ' PHE . 23.2 p . . . . . 0 CA--C 1.479 -1.774 0 CA-C-N 112.167 -2.288 . . . . 0.0 106.481 177.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.609 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 7.6 m-85 . . . . . 0 N--CA 1.395 -3.2 0 CA-C-O 121.357 0.599 . . . . 0.0 109.702 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.609 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 31.7 m-85 -100.64 35.8 2.07 Favored 'General case' 0 CA--C 1.456 -2.671 0 CA-C-O 125.173 2.416 . . . . 0.0 105.501 -176.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.576 ' H ' ' C ' ' A' ' 7' ' ' PHE . 1.6 mtp180 -151.4 -21.05 0.2 Allowed 'General case' 0 N--CA 1.406 -2.626 1 CA-C-N 108.08 -4.145 . . . . 0.0 106.28 175.749 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.591 ' HG2' ' CD1' ' A' ' 11' ' ' PHE . 5.0 pm0 -155.25 175.82 13.36 Favored 'General case' 0 C--N 1.38 1.916 0 C-N-CA 119.855 -0.738 . . . . 0.0 109.227 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.591 ' CD1' ' HG2' ' A' ' 10' ' ' GLN . 52.8 m-85 80.92 -72.63 0.06 Allowed 'General case' 0 CA--C 1.499 -1.01 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 178.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.711 HD12 ' H ' ' A' ' 12' ' ' ILE . 4.1 mp -81.66 -42.54 19.44 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.729 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 mt -82.32 -53.03 6.36 Favored 'General case' 0 N--CA 1.42 -1.936 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.951 -175.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -133.58 127.71 33.65 Favored 'General case' 0 CA--C 1.499 -0.997 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 -178.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.4 ptt85 -139.75 139.17 36.42 Favored 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -72.05 -39.86 68.76 Favored 'General case' 0 CA--C 1.491 -1.291 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.1 mtmt . . . . . 0 C--O 1.259 1.593 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -179.394 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 120.767 0.318 . . . . 0.0 110.747 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 67.2 mtt -131.51 151.35 51.65 Favored 'General case' 0 CA--C 1.482 -1.658 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.41 89.9 3.13 Favored 'General case' 0 CA--C 1.458 -2.576 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.553 HD23 ' CD1' ' A' ' 7' ' ' PHE . 69.5 mt -115.12 74.49 0.88 Allowed 'General case' 0 CA--C 1.472 -2.043 0 CA-C-N 112.929 -1.941 . . . . 0.0 108.872 -177.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.4 ' C ' ' H ' ' A' ' 8' ' ' PHE . 21.6 p . . . . . 0 CA--C 1.48 -1.712 0 CA-C-N 112.046 -2.343 . . . . 0.0 105.834 176.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.668 ' HD2' HD11 ' A' ' 12' ' ' ILE . 9.7 m-85 . . . . . 0 N--CA 1.387 -3.603 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.637 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 26.6 m-85 -104.34 39.81 1.59 Allowed 'General case' 0 CA--C 1.464 -2.349 0 CA-C-O 125.117 2.389 . . . . 0.0 105.704 -176.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.488 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -159.76 -21.26 0.07 Allowed 'General case' 0 N--CA 1.418 -2.069 1 CA-C-N 108.175 -4.102 . . . . 0.0 106.154 176.209 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.09 -174.34 4.84 Favored 'General case' 0 C--N 1.379 1.872 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 -179.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.559 ' HB2' HD12 ' A' ' 12' ' ' ILE . 56.6 m-85 70.89 -74.28 0.09 Allowed 'General case' 0 C--N 1.358 0.938 0 CA-C-O 120.969 0.414 . . . . 0.0 109.896 178.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.751 ' H ' HD12 ' A' ' 12' ' ' ILE . 3.9 mp -80.82 -47.25 20.56 Favored 'Isoleucine or valine' 0 CA--C 1.476 -1.903 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 -179.242 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 mt -78.91 -45.01 21.46 Favored 'General case' 0 N--CA 1.417 -2.091 0 CA-C-N 114.61 -1.177 . . . . 0.0 107.926 -176.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 78.93 -50.79 0.45 Allowed 'General case' 0 CA--C 1.504 -0.791 0 CA-C-N 115.215 -0.902 . . . . 0.0 108.981 179.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 95.9 mtm-85 -126.88 148.23 50.02 Favored 'General case' 0 CA--C 1.496 -1.111 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -93.87 -9.66 36.51 Favored 'General case' 0 CA--C 1.494 -1.202 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 87.9 tttt . . . . . 0 C--O 1.262 1.757 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 120.758 0.313 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 99.4 mtp -129.79 148.76 51.7 Favored 'General case' 0 CA--C 1.486 -1.492 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.645 ' O ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -144.9 95.32 2.67 Favored 'General case' 0 CA--C 1.468 -2.183 0 CA-C-O 123.151 1.453 . . . . 0.0 107.675 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.645 HD23 ' O ' ' A' ' 3' ' ' ARG . 18.2 mt -123.73 -17.32 6.42 Favored 'General case' 0 N--CA 1.423 -1.824 0 CA-C-N 113.722 -1.581 . . . . 0.0 107.289 179.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.1 p . . . . . 0 CA--C 1.483 -1.609 0 N-CA-C 106.334 -1.728 . . . . 0.0 106.334 -179.453 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.61 ' C ' ' H ' ' A' ' 9' ' ' ARG . 5.4 m-85 . . . . . 0 N--CA 1.399 -2.996 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.605 ' CE1' ' O ' ' A' ' 4' ' ' LEU . 13.2 m-85 -97.4 36.86 1.41 Allowed 'General case' 0 CA--C 1.462 -2.434 0 CA-C-O 124.943 2.306 . . . . 0.0 106.224 -178.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.61 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -155.67 -19.64 0.11 Allowed 'General case' 0 N--CA 1.41 -2.443 0 CA-C-N 108.514 -3.948 . . . . 0.0 106.58 175.311 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.93 -178.4 6.26 Favored 'General case' 0 C--N 1.381 1.973 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 -178.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.531 ' HB2' HD12 ' A' ' 12' ' ' ILE . 79.9 m-85 70.4 -79.18 0.04 OUTLIER 'General case' 0 CA--C 1.503 -0.859 0 CA-C-O 121.014 0.435 . . . . 0.0 110.24 177.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.826 ' H ' HD12 ' A' ' 12' ' ' ILE . 4.3 mp -73.21 -44.7 55.19 Favored 'Isoleucine or valine' 0 CA--C 1.474 -1.95 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 -178.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.415 ' N ' HD23 ' A' ' 13' ' ' LEU . 4.0 mt -83.23 -49.55 9.32 Favored 'General case' 0 N--CA 1.412 -2.353 0 CA-C-N 114.137 -1.392 . . . . 0.0 108.057 -176.265 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 76.51 -56.15 0.57 Allowed 'General case' 0 C--N 1.355 0.815 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.143 179.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.9 mmt180 -110.63 139.6 45.74 Favored 'General case' 0 CA--C 1.496 -1.11 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.96 -9.25 31.64 Favored 'General case' 0 CA--C 1.493 -1.244 0 N-CA-C 106.573 -1.639 . . . . 0.0 106.573 179.156 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 87.7 tttt . . . . . 0 C--O 1.262 1.715 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 -179.941 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 120.769 0.319 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 79.5 mtm -131.19 150.52 52.11 Favored 'General case' 0 CA--C 1.487 -1.459 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.81 88.73 2.26 Favored 'General case' 0 CA--C 1.467 -2.24 0 CA-C-O 122.973 1.368 . . . . 0.0 107.557 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.602 ' O ' ' CE1' ' A' ' 8' ' ' PHE . 21.8 mt -118.7 -16.59 9.37 Favored 'General case' 0 N--CA 1.421 -1.879 0 CA-C-N 113.728 -1.578 . . . . 0.0 107.326 -179.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.5 p . . . . . 0 CA--C 1.483 -1.605 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 -179.499 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.621 ' C ' ' H ' ' A' ' 9' ' ' ARG . 4.9 m-85 . . . . . 0 N--CA 1.398 -3.04 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' A' ' 4' ' ' LEU . 13.6 m-85 -97.1 37.15 1.34 Allowed 'General case' 0 CA--C 1.462 -2.424 0 CA-C-O 125.025 2.345 . . . . 0.0 106.236 -178.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.621 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -156.49 -17.51 0.1 Allowed 'General case' 0 N--CA 1.411 -2.406 1 CA-C-N 108.322 -4.035 . . . . 0.0 106.511 175.24 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.5 176.89 10.21 Favored 'General case' 0 C--N 1.383 2.032 0 CA-C-O 121.657 0.741 . . . . 0.0 109.104 -178.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.595 ' HB2' HD12 ' A' ' 12' ' ' ILE . 82.9 m-85 73.72 -77.76 0.05 Allowed 'General case' 0 CA--C 1.501 -0.921 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.171 177.195 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.823 HD12 ' H ' ' A' ' 12' ' ' ILE . 4.3 mp -74.5 -42.83 49.23 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.843 0 CA-C-O 121.987 0.898 . . . . 0.0 108.822 -178.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.414 ' N ' HD23 ' A' ' 13' ' ' LEU . 5.2 mt -81.82 -50.44 9.22 Favored 'General case' 0 N--CA 1.417 -2.12 0 CA-C-N 114.59 -1.186 . . . . 0.0 110.55 -174.255 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -149.08 151.81 35.09 Favored 'General case' 0 CA--C 1.498 -1.027 0 C-N-CA 119.03 -1.068 . . . . 0.0 108.865 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -76.76 148.97 36.35 Favored 'General case' 0 CA--C 1.5 -0.972 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.79 -22.03 60.9 Favored 'General case' 0 CA--C 1.501 -0.942 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp . . . . . 0 C--O 1.263 1.801 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 -179.935 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 120.721 0.296 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 99.2 mtp -131.56 152.15 51.01 Favored 'General case' 0 CA--C 1.483 -1.625 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.19 114.46 14.5 Favored 'General case' 0 CA--C 1.47 -2.135 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 177.457 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.503 ' HA ' HD23 ' A' ' 4' ' ' LEU . 64.5 mt -131.04 68.6 1.48 Allowed 'General case' 0 CA--C 1.472 -2.032 0 CA-C-O 123.391 1.567 . . . . 0.0 108.458 179.363 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.416 ' HA ' ' HD1' ' A' ' 8' ' ' PHE . 27.5 p . . . . . 0 CA--C 1.479 -1.767 0 CA-C-N 112.062 -2.336 . . . . 0.0 106.714 176.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.621 ' HD2' HD11 ' A' ' 12' ' ' ILE . 6.9 m-85 . . . . . 0 N--CA 1.395 -3.193 0 CA-C-O 121.362 0.601 . . . . 0.0 109.442 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.609 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 31.3 m-85 -100.41 35.69 2.06 Favored 'General case' 0 CA--C 1.458 -2.595 0 CA-C-O 125.11 2.386 . . . . 0.0 105.419 -176.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.587 ' H ' ' C ' ' A' ' 7' ' ' PHE . 2.0 mtp180 -151.29 -22.74 0.21 Allowed 'General case' 0 N--CA 1.407 -2.619 1 CA-C-N 108.083 -4.144 . . . . 0.0 106.213 175.905 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.596 ' HG2' ' CD1' ' A' ' 11' ' ' PHE . 5.5 pm0 -154.41 177.93 10.62 Favored 'General case' 0 C--N 1.381 1.972 0 O-C-N 121.553 -0.717 . . . . 0.0 109.217 179.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.596 ' CD1' ' HG2' ' A' ' 10' ' ' GLN . 53.6 m-85 80.05 -70.85 0.08 Allowed 'General case' 0 CA--C 1.501 -0.909 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.683 ' H ' HD12 ' A' ' 12' ' ' ILE . 4.0 mp -84.23 -44.11 17.81 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.668 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 -179.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 mt -79.9 -51.09 9.55 Favored 'General case' 0 N--CA 1.42 -1.95 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.706 -175.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -114.31 132.9 56.01 Favored 'General case' 0 CA--C 1.497 -1.06 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -72.27 143.65 48.67 Favored 'General case' 0 CA--C 1.501 -0.933 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -21.92 59.49 Favored 'General case' 0 CA--C 1.5 -0.943 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt . . . . . 0 C--O 1.262 1.743 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 180.0 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 N--CA 1.488 1.469 0 CA-C-O 121.181 0.515 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 99.3 mtp -130.89 148.52 52.67 Favored 'General case' 0 CA--C 1.488 -1.436 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.51 86.82 1.48 Allowed 'General case' 0 CA--C 1.467 -2.238 0 CA-C-O 123.002 1.382 . . . . 0.0 107.977 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.605 ' O ' ' HB2' ' A' ' 7' ' ' PHE . 24.3 mt -118.49 -16.31 9.54 Favored 'General case' 0 N--CA 1.421 -1.899 0 CA-C-N 113.756 -1.566 . . . . 0.0 107.163 -179.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.9 p . . . . . 0 CA--C 1.482 -1.652 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 -179.353 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.609 ' C ' ' H ' ' A' ' 9' ' ' ARG . 5.8 m-85 . . . . . 0 N--CA 1.398 -3.026 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.594 ' CE1' ' O ' ' A' ' 4' ' ' LEU . 13.0 m-85 -97.24 37.74 1.31 Allowed 'General case' 0 CA--C 1.461 -2.457 0 CA-C-O 125.068 2.366 . . . . 0.0 106.191 -178.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.609 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -155.86 -22.78 0.11 Allowed 'General case' 0 N--CA 1.41 -2.463 1 CA-C-N 108.252 -4.067 . . . . 0.0 106.235 175.171 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.98 -178.21 6.0 Favored 'General case' 0 C--N 1.38 1.923 0 C-N-CA 119.881 -0.728 . . . . 0.0 109.271 -178.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.556 ' HB2' HD12 ' A' ' 12' ' ' ILE . 83.6 m-85 71.41 -72.83 0.11 Allowed 'General case' 0 C--N 1.356 0.89 0 CA-C-O 121.03 0.443 . . . . 0.0 110.275 177.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.755 ' H ' HD12 ' A' ' 12' ' ' ILE . 4.0 mp -81.43 -44.78 20.64 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.828 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 -179.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.418 ' N ' HD23 ' A' ' 13' ' ' LEU . 3.4 mt -84.88 -46.4 11.34 Favored 'General case' 0 N--CA 1.418 -2.035 0 CA-C-N 114.629 -1.168 . . . . 0.0 108.989 -175.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 62.93 48.88 3.75 Favored 'General case' 0 CA--C 1.507 -0.679 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.8 mmp_? -98.11 134.64 40.9 Favored 'General case' 0 CA--C 1.498 -1.043 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -98.1 -11.23 23.09 Favored 'General case' 0 CA--C 1.493 -1.214 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.8 mttm . . . . . 0 C--O 1.261 1.697 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 -179.914 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 120.856 0.36 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 62.9 mtt -131.67 152.14 51.09 Favored 'General case' 0 CA--C 1.485 -1.536 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.722 ' O ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -137.86 109.78 7.19 Favored 'General case' 0 CA--C 1.471 -2.065 0 N-CA-C 105.569 -2.012 . . . . 0.0 105.569 177.209 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.722 HD23 ' O ' ' A' ' 3' ' ' ARG . 20.3 mt -125.59 -20.7 4.65 Favored 'General case' 0 N--CA 1.421 -1.922 0 CA-C-N 114.769 -1.105 . . . . 0.0 108.332 -179.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.404 ' HA ' ' CD1' ' A' ' 8' ' ' PHE . 84.9 p . . . . . 0 CA--C 1.485 -1.55 0 O-C-N 119.667 -1.896 . . . . 0.0 106.405 -179.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.622 ' HD2' HD11 ' A' ' 12' ' ' ILE . 5.1 m-85 . . . . . 0 N--CA 1.391 -3.397 0 N-CA-C 106.838 -1.542 . . . . 0.0 106.838 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.603 ' CE1' ' O ' ' A' ' 4' ' ' LEU . 12.3 m-85 -100.27 40.79 1.22 Allowed 'General case' 0 CA--C 1.469 -2.144 0 CA-C-O 125.073 2.368 . . . . 0.0 106.301 -178.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.53 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -161.52 -18.77 0.05 OUTLIER 'General case' 0 N--CA 1.422 -1.871 1 CA-C-N 108.388 -4.005 . . . . 0.0 106.061 175.412 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.43 ' H ' ' H ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -148.73 -178.26 6.24 Favored 'General case' 0 C--N 1.379 1.889 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 -178.624 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.55 ' HB2' HD12 ' A' ' 12' ' ' ILE . 77.5 m-85 69.96 -77.13 0.06 Allowed 'General case' 0 C--N 1.354 0.792 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.619 177.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.782 ' H ' HD12 ' A' ' 12' ' ' ILE . 4.3 mp -75.82 -44.49 39.13 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.84 0 CA-C-O 122.168 0.985 . . . . 0.0 108.601 -178.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.419 HD23 ' N ' ' A' ' 13' ' ' LEU . 4.2 mt -81.98 -36.22 28.11 Favored 'General case' 0 N--CA 1.417 -2.112 0 CA-C-N 114.354 -1.294 . . . . 0.0 109.19 -175.309 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -71.26 130.13 40.65 Favored 'General case' 0 CA--C 1.504 -0.821 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -128.45 149.19 50.67 Favored 'General case' 0 CA--C 1.496 -1.108 0 N-CA-C 107.024 -1.472 . . . . 0.0 107.024 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -93.31 -11.58 32.09 Favored 'General case' 0 CA--C 1.494 -1.202 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt . . . . . 0 C--O 1.262 1.721 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 . . . . . 0 N--CA 1.489 1.497 0 CA-C-O 121.065 0.459 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 66.6 mtt -129.82 149.55 51.51 Favored 'General case' 0 CA--C 1.491 -1.305 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.408 ' O ' ' HG2' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -137.04 65.25 1.51 Allowed 'General case' 0 CA--C 1.465 -2.297 0 CA-C-O 123.28 1.514 . . . . 0.0 106.935 -179.562 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.45 HD23 ' CD1' ' A' ' 7' ' ' PHE . 64.6 mt -93.19 73.66 4.63 Favored 'General case' 0 N--CA 1.408 -2.563 0 CA-C-N 113.444 -1.707 . . . . 0.0 109.423 -175.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.2 p . . . . . 0 CA--C 1.479 -1.785 0 CA-C-N 111.456 -2.611 . . . . 0.0 105.681 176.436 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.694 ' HD2' HD11 ' A' ' 12' ' ' ILE . 6.5 m-85 . . . . . 0 N--CA 1.394 -3.251 0 CA-C-O 121.082 0.468 . . . . 0.0 109.843 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.63 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 30.4 m-85 -101.11 35.87 2.12 Favored 'General case' 0 CA--C 1.455 -2.689 0 CA-C-O 125.113 2.387 . . . . 0.0 105.937 -176.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.566 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.7 OUTLIER -153.92 -20.75 0.14 Allowed 'General case' 0 N--CA 1.408 -2.568 1 CA-C-N 108.167 -4.106 . . . . 0.0 106.512 175.924 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.74 -178.98 7.04 Favored 'General case' 0 C--N 1.383 2.052 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -178.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.603 ' HB2' HD12 ' A' ' 12' ' ' ILE . 60.4 m-85 73.78 -71.55 0.13 Allowed 'General case' 0 C--N 1.357 0.91 0 CA-C-O 121.099 0.476 . . . . 0.0 109.855 177.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.733 ' H ' HD12 ' A' ' 12' ' ' ILE . 3.9 mp -82.52 -44.05 19.22 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.763 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 -179.261 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.9 mt -82.07 -53.53 6.03 Favored 'General case' 0 N--CA 1.419 -2.018 0 CA-C-N 114.924 -1.034 . . . . 0.0 109.203 -175.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -107.88 115.61 30.45 Favored 'General case' 0 CA--C 1.498 -1.02 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 -80.98 152.85 27.78 Favored 'General case' 0 CA--C 1.498 -1.035 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.2 -20.64 61.54 Favored 'General case' 0 CA--C 1.5 -0.96 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.485 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.261 1.708 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 179.852 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 120.759 0.314 . . . . 0.0 110.64 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 67.4 mtt -134.2 162.59 31.72 Favored 'General case' 0 CA--C 1.481 -1.704 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.602 ' HG2' ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -93.47 -78.23 0.43 Allowed 'General case' 0 N--CA 1.423 -1.801 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 -179.271 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.602 ' H ' ' HG2' ' A' ' 3' ' ' ARG . 17.2 mt 65.4 39.03 5.41 Favored 'General case' 0 CA--C 1.482 -1.673 0 CA-C-O 123.165 1.459 . . . . 0.0 109.223 176.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.425 ' C ' ' H ' ' A' ' 8' ' ' PHE . 22.7 p . . . . . 0 CA--C 1.475 -1.907 0 N-CA-C 104.121 -2.548 . . . . 0.0 104.121 174.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.672 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 3.3 m-85 . . . . . 0 N--CA 1.39 -3.455 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.672 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 33.2 m-85 -104.94 41.77 1.3 Allowed 'General case' 0 CA--C 1.463 -2.367 0 CA-C-O 125.085 2.374 . . . . 0.0 106.678 -175.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.438 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -161.97 -19.27 0.04 OUTLIER 'General case' 0 N--CA 1.424 -1.759 1 CA-C-N 108.309 -4.041 . . . . 0.0 106.585 176.204 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.93 -166.69 2.61 Favored 'General case' 0 C--N 1.37 1.46 0 N-CA-C 106.742 -1.577 . . . . 0.0 106.742 -178.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.655 ' HB2' HD12 ' A' ' 12' ' ' ILE . 96.7 m-85 65.77 -84.76 0.03 OUTLIER 'General case' 0 C--N 1.356 0.877 0 CA-C-O 121.524 0.678 . . . . 0.0 109.848 178.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.841 ' H ' HD12 ' A' ' 12' ' ' ILE . 4.4 mp -73.05 -41.75 59.34 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.723 0 CA-C-N 115.082 -0.963 . . . . 0.0 108.901 -178.181 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 mt -83.45 -35.33 25.05 Favored 'General case' 0 N--CA 1.419 -2.022 0 CA-C-N 115.014 -0.994 . . . . 0.0 108.65 -175.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -62.99 -45.22 93.45 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.74 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 91.6 mtm180 -137.77 147.63 44.83 Favored 'General case' 0 CA--C 1.494 -1.194 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.5 mmtt -96.35 -3.74 43.24 Favored 'General case' 0 CA--C 1.5 -0.96 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 -178.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt . . . . . 0 C--O 1.262 1.734 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -179.928 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 34.0 tp10 . . . . . 0 N--CA 1.488 1.457 0 CA-C-O 121.266 0.555 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 99.4 mtp -132.96 151.2 52.09 Favored 'General case' 0 CA--C 1.485 -1.52 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.98 93.52 2.56 Favored 'General case' 0 CA--C 1.465 -2.293 0 CA-C-O 123.013 1.387 . . . . 0.0 107.711 179.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.543 HD23 ' CD1' ' A' ' 7' ' ' PHE . 68.5 mt -131.74 73.05 1.51 Allowed 'General case' 0 CA--C 1.471 -2.081 0 CA-C-N 113.614 -1.63 . . . . 0.0 107.383 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.444 ' HA ' ' HD1' ' A' ' 8' ' ' PHE . 33.8 p . . . . . 0 CA--C 1.48 -1.741 0 CA-C-N 112.11 -2.314 . . . . 0.0 106.554 177.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.674 ' HD2' HD11 ' A' ' 12' ' ' ILE . 9.2 m-85 . . . . . 0 N--CA 1.395 -3.179 0 CA-C-O 121.085 0.469 . . . . 0.0 110.095 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.635 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 32.6 m-85 -101.24 35.53 2.23 Favored 'General case' 0 CA--C 1.456 -2.646 0 CA-C-O 125.201 2.429 . . . . 0.0 105.78 -176.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.572 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -153.83 -20.53 0.14 Allowed 'General case' 0 N--CA 1.408 -2.538 1 CA-C-N 108.066 -4.152 . . . . 0.0 106.535 175.963 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.99 -179.12 7.2 Favored 'General case' 0 C--N 1.383 2.029 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 -178.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.609 ' HB2' HD12 ' A' ' 12' ' ' ILE . 61.3 m-85 73.92 -70.18 0.16 Allowed 'General case' 0 C--N 1.356 0.878 0 CA-C-O 121.145 0.498 . . . . 0.0 109.844 177.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.725 ' H ' HD12 ' A' ' 12' ' ' ILE . 3.7 mp -84.7 -42.29 16.56 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.743 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.0 mt -83.69 -54.23 5.07 Favored 'General case' 0 N--CA 1.42 -1.951 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.964 -175.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -127.67 127.59 44.01 Favored 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 -178.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -149.44 161.04 42.88 Favored 'General case' 0 CA--C 1.49 -1.342 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -118.45 80.36 1.52 Allowed 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 179.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 88.1 tttt . . . . . 0 C--O 1.262 1.75 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 179.739 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 120.802 0.334 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 99.4 mtp -130.9 150.2 52.17 Favored 'General case' 0 CA--C 1.486 -1.504 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.05 95.11 2.75 Favored 'General case' 0 CA--C 1.465 -2.293 0 CA-C-O 123.1 1.428 . . . . 0.0 107.507 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.545 HD23 ' CD1' ' A' ' 7' ' ' PHE . 65.7 mt -132.23 72.99 1.51 Allowed 'General case' 0 CA--C 1.471 -2.06 0 CA-C-N 113.542 -1.663 . . . . 0.0 107.464 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.42 ' C ' ' H ' ' A' ' 8' ' ' PHE . 24.7 p . . . . . 0 CA--C 1.48 -1.747 0 CA-C-N 112.034 -2.348 . . . . 0.0 105.971 177.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.693 ' HD2' HD11 ' A' ' 12' ' ' ILE . 9.7 m-85 . . . . . 0 N--CA 1.387 -3.592 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.664 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 27.3 m-85 -103.99 40.57 1.42 Allowed 'General case' 0 CA--C 1.463 -2.391 0 CA-C-O 125.223 2.439 . . . . 0.0 105.867 -176.127 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.493 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -159.8 -22.97 0.07 Allowed 'General case' 0 N--CA 1.417 -2.088 1 CA-C-N 108.082 -4.145 . . . . 0.0 105.967 176.082 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.447 ' H ' ' H ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -150.87 -175.92 5.32 Favored 'General case' 0 C--N 1.379 1.876 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -178.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.578 ' HB2' HD12 ' A' ' 12' ' ' ILE . 49.7 m-85 72.06 -69.6 0.18 Allowed 'General case' 0 C--N 1.359 0.984 0 CA-C-O 120.93 0.395 . . . . 0.0 110.032 178.201 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.697 HD12 ' H ' ' A' ' 12' ' ' ILE . 3.8 mp -85.86 -46.3 16.92 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.787 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.6 mt -81.74 -47.42 12.93 Favored 'General case' 0 N--CA 1.421 -1.915 0 CA-C-N 114.868 -1.06 . . . . 0.0 108.857 -176.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 60.92 50.61 5.09 Favored 'General case' 0 CA--C 1.506 -0.747 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -79.56 152.92 29.85 Favored 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -88.77 -10.45 48.22 Favored 'General case' 0 CA--C 1.495 -1.152 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.6 mttt . . . . . 0 C--O 1.262 1.727 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 179.837 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 N--CA 1.489 1.497 0 CA-C-O 120.744 0.307 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 14.9 mmt -133.78 156.55 47.8 Favored 'General case' 0 CA--C 1.486 -1.512 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.576 ' O ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -142.15 93.28 2.52 Favored 'General case' 0 CA--C 1.468 -2.184 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.606 ' O ' ' HB2' ' A' ' 7' ' ' PHE . 18.0 mt -123.37 -17.21 6.62 Favored 'General case' 0 N--CA 1.422 -1.837 0 CA-C-N 113.841 -1.527 . . . . 0.0 107.354 -179.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.2 p -80.28 2.54 24.19 Favored 'General case' 0 CA--C 1.48 -1.715 0 N-CA-C 106.225 -1.768 . . . . 0.0 106.225 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' DAB . . . . . 0.545 ' HA ' ' HD2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.629 ' C ' ' H ' ' A' ' 9' ' ' ARG . 5.3 m-85 -66.52 -20.87 66.14 Favored 'General case' 0 N--CA 1.4 -2.945 0 CA-C-N 112.1 -2.318 . . . . 0.0 107.49 -178.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' A' ' 4' ' ' LEU . 12.4 m-85 -96.3 36.95 1.29 Allowed 'General case' 0 CA--C 1.462 -2.437 0 CA-C-O 124.951 2.31 . . . . 0.0 105.97 -178.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.629 ' H ' ' C ' ' A' ' 7' ' ' PHE . 1.1 mtp180 -153.19 -21.98 0.15 Allowed 'General case' 0 N--CA 1.408 -2.533 0 CA-C-N 108.433 -3.985 . . . . 0.0 106.411 175.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.641 ' HG2' ' CD1' ' A' ' 11' ' ' PHE . 3.6 pm0 -151.6 174.21 13.73 Favored 'General case' 0 C--N 1.379 1.88 0 C-N-CA 119.789 -0.764 . . . . 0.0 109.377 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.641 ' CD1' ' HG2' ' A' ' 10' ' ' GLN . 71.9 m-85 80.87 -78.16 0.03 OUTLIER 'General case' 0 CA--C 1.499 -1.007 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 178.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.754 ' H ' HD12 ' A' ' 12' ' ' ILE . 4.6 mp -75.18 -42.56 44.52 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.812 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.401 ' N ' HD23 ' A' ' 13' ' ' LEU . 4.9 mt -83.47 -52.66 6.31 Favored 'General case' 0 N--CA 1.417 -2.079 0 CA-C-N 114.608 -1.178 . . . . 0.0 110.267 -174.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -113.9 132.2 56.01 Favored 'General case' 0 CA--C 1.497 -1.082 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.9 ptt180 -151.84 163.5 39.08 Favored 'General case' 0 CA--C 1.494 -1.184 0 N-CA-C 106.873 -1.528 . . . . 0.0 106.873 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -97.63 -7.2 31.59 Favored 'General case' 0 CA--C 1.497 -1.094 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 -177.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--O 1.262 1.751 0 CA-C-O 117.872 -1.061 . . . . 0.0 108.246 -179.649 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 120.614 0.245 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 63.4 mtt -132.1 151.34 51.82 Favored 'General case' 0 CA--C 1.488 -1.405 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.502 ' O ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -138.09 91.67 2.59 Favored 'General case' 0 CA--C 1.467 -2.23 0 N-CA-C 106.473 -1.677 . . . . 0.0 106.473 179.433 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.6 ' O ' ' HB2' ' A' ' 7' ' ' PHE . 16.7 mt -121.05 -12.44 8.73 Favored 'General case' 0 N--CA 1.421 -1.904 0 CA-C-N 114.017 -1.447 . . . . 0.0 108.102 -178.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.5 p -76.55 -4.83 44.89 Favored 'General case' 0 CA--C 1.484 -1.579 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' DAB . . . . . 0.534 ' HA ' ' HD2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.63 ' C ' ' H ' ' A' ' 9' ' ' ARG . 5.0 m-85 -66.57 -18.96 65.65 Favored 'General case' 0 N--CA 1.397 -3.086 0 CA-C-N 112.157 -2.292 . . . . 0.0 107.993 -177.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.586 ' CE1' ' O ' ' A' ' 4' ' ' LEU . 14.6 m-85 -97.21 36.62 1.42 Allowed 'General case' 0 CA--C 1.46 -2.483 0 CA-C-O 125.022 2.344 . . . . 0.0 106.28 -178.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.63 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -155.51 -19.56 0.11 Allowed 'General case' 0 N--CA 1.409 -2.475 1 CA-C-N 108.342 -4.026 . . . . 0.0 106.507 175.43 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.479 ' NE2' ' C ' ' A' ' 6' ' ' DAB . 0.0 OUTLIER -148.48 178.59 8.48 Favored 'General case' 0 C--N 1.382 1.979 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -178.297 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.559 ' HB2' HD12 ' A' ' 12' ' ' ILE . 78.2 m-85 72.59 -76.33 0.07 Allowed 'General case' 0 CA--C 1.502 -0.887 0 CA-C-O 121.119 0.485 . . . . 0.0 110.398 177.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.809 ' H ' HD12 ' A' ' 12' ' ' ILE . 4.1 mp -75.84 -43.64 39.64 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.831 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -178.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.4 HD23 ' N ' ' A' ' 13' ' ' LEU . 4.3 mt -83.16 -64.58 1.14 Allowed 'General case' 0 N--CA 1.415 -2.201 0 CA-C-N 114.389 -1.278 . . . . 0.0 109.876 -174.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.8 mm100 58.95 45.32 15.21 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.0 mmt85 -73.78 135.61 43.54 Favored 'General case' 0 CA--C 1.499 -1.003 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -94.37 -11.38 30.05 Favored 'General case' 0 CA--C 1.493 -1.243 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.3 mttt . . . . . 0 C--O 1.262 1.735 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 179.763 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 120.776 0.322 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 66.7 mtt -131.33 151.49 51.46 Favored 'General case' 0 CA--C 1.487 -1.458 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.42 88.09 2.18 Favored 'General case' 0 CA--C 1.467 -2.248 0 CA-C-O 122.977 1.37 . . . . 0.0 107.518 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.605 ' O ' ' HB2' ' A' ' 7' ' ' PHE . 23.0 mt -117.47 -16.03 10.23 Favored 'General case' 0 N--CA 1.421 -1.895 0 CA-C-N 113.926 -1.488 . . . . 0.0 107.563 -179.08 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.5 p -77.33 -2.57 35.6 Favored 'General case' 0 CA--C 1.482 -1.643 0 O-C-N 119.978 -1.701 . . . . 0.0 106.563 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' DAB . . . . . 0.508 ' HA ' ' HD2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.615 ' C ' ' H ' ' A' ' 9' ' ' ARG . 5.3 m-85 -66.21 -19.38 65.81 Favored 'General case' 0 N--CA 1.399 -3.02 0 CA-C-N 112.234 -2.257 . . . . 0.0 107.83 -178.135 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.601 ' CE1' ' O ' ' A' ' 4' ' ' LEU . 13.7 m-85 -97.18 37.27 1.34 Allowed 'General case' 0 CA--C 1.461 -2.444 0 CA-C-O 125.008 2.337 . . . . 0.0 106.28 -178.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.615 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -156.23 -18.74 0.1 Allowed 'General case' 0 N--CA 1.41 -2.438 1 CA-C-N 108.352 -4.022 . . . . 0.0 106.459 175.17 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.479 ' NE2' ' C ' ' A' ' 6' ' ' DAB . 0.0 OUTLIER -148.86 177.93 9.12 Favored 'General case' 0 C--N 1.382 2.013 0 O-C-N 121.545 -0.722 . . . . 0.0 109.092 -178.401 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.583 ' HB2' HD12 ' A' ' 12' ' ' ILE . 81.8 m-85 73.22 -76.63 0.06 Allowed 'General case' 0 CA--C 1.501 -0.917 0 CA-C-O 121.157 0.503 . . . . 0.0 110.212 177.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.815 ' H ' HD12 ' A' ' 12' ' ' ILE . 4.2 mp -75.73 -42.77 40.78 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.833 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 -178.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.5 mt -84.77 -52.88 5.73 Favored 'General case' 0 N--CA 1.416 -2.14 0 CA-C-N 114.627 -1.17 . . . . 0.0 110.093 -174.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -108.3 135.49 49.53 Favored 'General case' 0 CA--C 1.497 -1.083 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -127.25 147.52 50.22 Favored 'General case' 0 CA--C 1.497 -1.095 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -95.93 -9.73 30.5 Favored 'General case' 0 CA--C 1.493 -1.229 0 N-CA-C 107.281 -1.378 . . . . 0.0 107.281 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt . . . . . 0 C--O 1.261 1.708 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.94 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 120.77 0.319 . . . . 0.0 110.696 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 79.2 mtm -130.72 150.54 51.85 Favored 'General case' 0 CA--C 1.486 -1.5 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.91 93.17 2.52 Favored 'General case' 0 CA--C 1.465 -2.319 0 CA-C-O 122.971 1.367 . . . . 0.0 107.46 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.536 HD23 ' CD1' ' A' ' 7' ' ' PHE . 67.9 mt -130.39 73.02 1.51 Allowed 'General case' 0 CA--C 1.472 -2.056 0 CA-C-N 113.665 -1.607 . . . . 0.0 107.566 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.403 ' HA ' ' HD1' ' A' ' 8' ' ' PHE . 22.7 p -151.83 -32.05 0.15 Allowed 'General case' 0 CA--C 1.479 -1.753 0 CA-C-N 112.092 -2.322 . . . . 0.0 105.809 177.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' DAB . . . . . 0.505 ' C ' ' HG2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.681 ' HD2' HD11 ' A' ' 12' ' ' ILE . 7.6 m-85 -67.63 -20.92 65.39 Favored 'General case' 0 N--CA 1.387 -3.597 0 CA-C-N 111.576 -2.556 . . . . 0.0 109.135 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.646 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 30.2 m-85 -103.97 40.5 1.44 Allowed 'General case' 0 CA--C 1.463 -2.388 0 CA-C-O 125.223 2.44 . . . . 0.0 105.711 -176.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.52 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -160.57 -19.64 0.06 Allowed 'General case' 0 N--CA 1.417 -2.122 1 CA-C-N 107.932 -4.213 . . . . 0.0 106.028 176.183 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 6' ' ' DAB . 0.0 OUTLIER -152.32 179.93 8.1 Favored 'General case' 0 C--N 1.382 2.006 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 -179.181 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.633 ' HB2' HD12 ' A' ' 12' ' ' ILE . 58.5 m-85 73.82 -70.39 0.16 Allowed 'General case' 0 C--N 1.357 0.931 0 CA-C-O 121.07 0.462 . . . . 0.0 110.229 177.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.712 ' H ' HD12 ' A' ' 12' ' ' ILE . 3.9 mp -83.77 -42.97 17.72 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.754 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -178.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 mt -80.9 -52.21 7.72 Favored 'General case' 0 N--CA 1.42 -1.936 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.148 -174.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -154.2 157.82 39.37 Favored 'General case' 0 CA--C 1.497 -1.074 0 C-N-CA 119.353 -0.939 . . . . 0.0 108.585 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -151.41 159.51 44.2 Favored 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.35 -15.62 39.94 Favored 'General case' 0 CA--C 1.499 -1.013 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -179.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt . . . . . 0 C--O 1.261 1.696 0 CA-C-O 117.904 -1.046 . . . . 0.0 108.432 -179.395 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 120.69 0.281 . . . . 0.0 110.748 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 65.8 mtt -131.39 151.31 51.64 Favored 'General case' 0 CA--C 1.485 -1.545 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.4 92.76 2.67 Favored 'General case' 0 CA--C 1.465 -2.322 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.53 HD23 ' CD1' ' A' ' 7' ' ' PHE . 68.8 mt -130.23 73.52 1.54 Allowed 'General case' 0 N--CA 1.418 -2.065 0 CA-C-N 113.629 -1.623 . . . . 0.0 107.614 -179.3 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.403 ' HA ' ' HD1' ' A' ' 8' ' ' PHE . 22.4 p -152.37 -32.18 0.14 Allowed 'General case' 0 CA--C 1.479 -1.766 0 CA-C-N 111.974 -2.376 . . . . 0.0 105.757 177.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' DAB . . . . . 0.513 ' C ' ' HG2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.674 ' HD2' HD11 ' A' ' 12' ' ' ILE . 7.8 m-85 -67.72 -21.01 65.32 Favored 'General case' 0 N--CA 1.387 -3.603 0 CA-C-N 111.608 -2.542 . . . . 0.0 109.107 -179.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.647 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 29.4 m-85 -103.74 40.41 1.44 Allowed 'General case' 0 CA--C 1.463 -2.393 0 CA-C-O 125.282 2.468 . . . . 0.0 105.786 -176.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.513 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -160.56 -19.77 0.06 Allowed 'General case' 0 N--CA 1.417 -2.1 1 CA-C-N 107.908 -4.223 . . . . 0.0 106.037 176.207 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 6' ' ' DAB . 0.0 OUTLIER -151.95 179.86 8.09 Favored 'General case' 0 C--N 1.382 1.983 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 -179.178 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.633 ' HB2' HD12 ' A' ' 12' ' ' ILE . 57.4 m-85 73.72 -72.34 0.12 Allowed 'General case' 0 CA--C 1.501 -0.911 0 CA-C-O 121.133 0.492 . . . . 0.0 109.914 177.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.744 ' H ' HD12 ' A' ' 12' ' ' ILE . 3.9 mp -81.22 -42.21 19.68 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.754 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 -179.003 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 mt -84.29 -51.62 6.85 Favored 'General case' 0 N--CA 1.418 -2.04 0 CA-C-N 115.076 -0.966 . . . . 0.0 110.242 -174.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -140.76 134.22 29.93 Favored 'General case' 0 CA--C 1.499 -0.983 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -141.28 158.51 43.79 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.88 -14.86 35.84 Favored 'General case' 0 CA--C 1.499 -0.991 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -179.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt . . . . . 0 C--O 1.261 1.658 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 -179.441 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 120.786 0.326 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 79.5 mtm -131.99 150.68 52.09 Favored 'General case' 0 CA--C 1.486 -1.498 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.0 89.5 2.31 Favored 'General case' 0 CA--C 1.468 -2.211 0 CA-C-O 123.032 1.396 . . . . 0.0 107.483 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.602 ' O ' ' CE1' ' A' ' 8' ' ' PHE . 21.6 mt -117.67 -16.41 10.07 Favored 'General case' 0 N--CA 1.422 -1.854 0 CA-C-N 113.681 -1.6 . . . . 0.0 107.321 -179.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.6 p -79.85 1.51 26.72 Favored 'General case' 0 CA--C 1.482 -1.653 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' DAB . . . . . 0.551 ' HA ' ' HD2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.603 ' C ' ' H ' ' A' ' 9' ' ' ARG . 4.9 m-85 -66.42 -19.79 65.89 Favored 'General case' 0 N--CA 1.398 -3.042 0 CA-C-N 112.199 -2.273 . . . . 0.0 107.871 -178.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' A' ' 4' ' ' LEU . 13.4 m-85 -97.08 37.12 1.34 Allowed 'General case' 0 CA--C 1.46 -2.512 0 CA-C-O 124.962 2.315 . . . . 0.0 106.355 -178.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.603 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -155.87 -19.01 0.1 Allowed 'General case' 0 N--CA 1.41 -2.432 0 CA-C-N 108.424 -3.989 . . . . 0.0 106.466 175.321 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.503 ' NE2' ' C ' ' A' ' 6' ' ' DAB . 0.0 OUTLIER -148.55 178.8 8.31 Favored 'General case' 0 C--N 1.382 1.995 0 O-C-N 121.48 -0.762 . . . . 0.0 109.01 -178.431 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.564 ' HB2' HD12 ' A' ' 12' ' ' ILE . 77.4 m-85 72.13 -78.4 0.05 OUTLIER 'General case' 0 CA--C 1.503 -0.858 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.232 177.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.803 ' H ' HD12 ' A' ' 12' ' ' ILE . 4.2 mp -73.37 -43.18 56.72 Favored 'Isoleucine or valine' 0 CA--C 1.473 -2.014 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 -178.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.422 ' N ' HD23 ' A' ' 13' ' ' LEU . 4.1 mt -83.36 -82.12 0.16 Allowed 'General case' 0 N--CA 1.412 -2.374 0 CA-C-N 114.376 -1.284 . . . . 0.0 108.7 -175.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -177.15 -88.98 0.0 OUTLIER 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -159.93 166.21 30.58 Favored 'General case' 0 N--CA 1.436 -1.141 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -93.03 -10.4 36.35 Favored 'General case' 0 CA--C 1.495 -1.143 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 -178.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt . . . . . 0 C--O 1.261 1.688 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 -179.548 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 120.725 0.298 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 67.4 mtt -130.05 151.09 50.97 Favored 'General case' 0 CA--C 1.485 -1.539 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.77 92.72 2.77 Favored 'General case' 0 CA--C 1.464 -2.345 0 CA-C-O 122.953 1.359 . . . . 0.0 107.475 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.539 HD23 ' CD1' ' A' ' 7' ' ' PHE . 67.5 mt -130.69 73.11 1.52 Allowed 'General case' 0 N--CA 1.416 -2.129 0 CA-C-N 113.651 -1.613 . . . . 0.0 107.472 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 p -152.12 -31.9 0.15 Allowed 'General case' 0 CA--C 1.478 -1.804 0 CA-C-N 112.041 -2.345 . . . . 0.0 105.838 177.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' DAB . . . . . 0.508 ' C ' ' HG2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.686 ' HD2' HD11 ' A' ' 12' ' ' ILE . 8.0 m-85 -67.43 -21.37 65.57 Favored 'General case' 0 N--CA 1.387 -3.592 0 CA-C-N 111.506 -2.588 . . . . 0.0 109.174 -179.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.648 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 29.1 m-85 -103.61 40.46 1.42 Allowed 'General case' 0 CA--C 1.462 -2.405 0 CA-C-O 125.27 2.462 . . . . 0.0 105.882 -176.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.508 ' HG2' ' C ' ' A' ' 6' ' ' DAB . 0.5 OUTLIER -160.29 -20.45 0.06 Allowed 'General case' 0 N--CA 1.417 -2.115 1 CA-C-N 107.952 -4.204 . . . . 0.0 105.98 176.213 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.437 ' H ' ' H ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -151.9 -179.37 7.41 Favored 'General case' 0 C--N 1.381 1.966 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 -179.025 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.606 ' HB2' HD12 ' A' ' 12' ' ' ILE . 55.4 m-85 73.42 -72.15 0.12 Allowed 'General case' 0 C--N 1.357 0.932 0 CA-C-O 121.156 0.503 . . . . 0.0 109.968 177.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.74 ' H ' HD12 ' A' ' 12' ' ' ILE . 3.9 mp -81.71 -44.02 20.08 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.822 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 -179.151 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.4 mt -82.97 -50.93 8.05 Favored 'General case' 0 N--CA 1.419 -2.021 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.148 -175.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -97.1 118.25 33.11 Favored 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 84.4 mtt85 -77.83 148.95 34.46 Favored 'General case' 0 N--CA 1.439 -0.98 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -89.17 -13.96 37.17 Favored 'General case' 0 CA--C 1.495 -1.135 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt . . . . . 0 C--O 1.262 1.757 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 120.863 0.364 . . . . 0.0 110.743 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -156.14 163.89 39.07 Favored 'General case' 0 CA--C 1.484 -1.562 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.76 81.52 1.22 Allowed 'General case' 0 CA--C 1.466 -2.284 0 CA-C-O 123.053 1.406 . . . . 0.0 107.44 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.611 ' O ' ' CE1' ' A' ' 8' ' ' PHE . 23.2 mt -112.66 -16.36 12.82 Favored 'General case' 0 N--CA 1.42 -1.954 0 CA-C-N 113.702 -1.59 . . . . 0.0 107.582 -178.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.6 p -78.06 -1.49 32.6 Favored 'General case' 0 CA--C 1.483 -1.61 0 O-C-N 120.012 -1.68 . . . . 0.0 106.483 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' DAB . . . . . 0.5 ' HA ' ' HD2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.608 ' HB2' ' O ' ' A' ' 4' ' ' LEU . 4.8 m-85 -66.12 -19.59 65.89 Favored 'General case' 0 N--CA 1.399 -2.999 0 CA-C-N 112.308 -2.224 . . . . 0.0 107.802 -178.202 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.611 ' CE1' ' O ' ' A' ' 4' ' ' LEU . 13.8 m-85 -97.08 37.43 1.32 Allowed 'General case' 0 CA--C 1.462 -2.426 0 CA-C-O 124.976 2.322 . . . . 0.0 106.2 -178.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.606 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -156.24 -19.55 0.1 Allowed 'General case' 0 N--CA 1.41 -2.461 1 CA-C-N 108.347 -4.024 . . . . 0.0 106.394 175.286 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.48 ' NE2' ' C ' ' A' ' 6' ' ' DAB . 0.0 OUTLIER -148.08 178.69 8.33 Favored 'General case' 0 C--N 1.382 1.993 0 CA-C-O 121.589 0.709 . . . . 0.0 109.14 -178.254 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.572 ' HB2' HD12 ' A' ' 12' ' ' ILE . 83.5 m-85 72.71 -77.02 0.06 Allowed 'General case' 0 CA--C 1.502 -0.876 0 CA-C-O 121.259 0.552 . . . . 0.0 110.156 177.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.819 ' H ' HD12 ' A' ' 12' ' ' ILE . 4.3 mp -75.31 -42.2 43.56 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.842 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 -178.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.404 HD23 ' N ' ' A' ' 13' ' ' LEU . 4.6 mt -84.89 -52.0 6.32 Favored 'General case' 0 N--CA 1.416 -2.127 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.277 -174.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -114.04 140.45 48.44 Favored 'General case' 0 CA--C 1.497 -1.085 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -179.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.9 ptp85 -148.97 159.85 43.83 Favored 'General case' 0 N--CA 1.437 -1.088 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.68 -15.19 37.85 Favored 'General case' 0 CA--C 1.499 -0.989 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 -179.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt . . . . . 0 C--O 1.261 1.667 0 CA-C-O 117.901 -1.047 . . . . 0.0 108.545 -179.333 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 120.832 0.348 . . . . 0.0 110.789 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 79.3 mtm -133.37 150.87 51.81 Favored 'General case' 0 CA--C 1.483 -1.599 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.0 109.83 11.55 Favored 'General case' 0 CA--C 1.468 -2.178 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 177.2 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.491 HD23 ' CD1' ' A' ' 7' ' ' PHE . 59.6 mt -132.27 69.83 1.47 Allowed 'General case' 0 N--CA 1.418 -2.061 0 CA-C-O 123.402 1.572 . . . . 0.0 107.987 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.436 ' HA ' ' HD1' ' A' ' 8' ' ' PHE . 19.2 p -154.16 -31.65 0.11 Allowed 'General case' 0 CA--C 1.478 -1.814 0 CA-C-N 111.912 -2.403 . . . . 0.0 105.784 176.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' DAB . . . . . 0.517 ' C ' ' HG2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.639 ' HD2' HD11 ' A' ' 12' ' ' ILE . 6.7 m-85 -68.17 -20.45 64.87 Favored 'General case' 0 N--CA 1.388 -3.545 0 CA-C-N 111.385 -2.643 . . . . 0.0 108.837 -179.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.627 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 29.4 m-85 -103.1 39.3 1.58 Allowed 'General case' 0 CA--C 1.462 -2.414 0 CA-C-O 125.205 2.431 . . . . 0.0 105.641 -176.506 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.522 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -157.62 -18.91 0.08 Allowed 'General case' 0 N--CA 1.416 -2.15 1 CA-C-N 108.032 -4.167 . . . . 0.0 105.759 175.803 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.581 ' HG2' ' CD1' ' A' ' 11' ' ' PHE . 3.6 pm0 -155.61 174.43 15.29 Favored 'General case' 0 C--N 1.38 1.924 0 O-C-N 121.378 -0.826 . . . . 0.0 109.224 178.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.592 ' HB2' HD12 ' A' ' 12' ' ' ILE . 43.0 m-85 80.35 -77.83 0.03 OUTLIER 'General case' 0 CA--C 1.499 -0.985 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 178.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.744 ' H ' HD12 ' A' ' 12' ' ' ILE . 4.4 mp -74.7 -43.65 47.11 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.907 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 -179.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.3 mt -80.79 -77.26 0.21 Allowed 'General case' 0 N--CA 1.416 -2.139 0 CA-C-N 114.769 -1.105 . . . . 0.0 108.836 -175.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -175.2 -102.16 0.0 OUTLIER 'General case' 0 CA--C 1.505 -0.753 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 96.1 mtm-85 -139.13 159.94 40.97 Favored 'General case' 0 CA--C 1.496 -1.128 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.15 -17.58 42.45 Favored 'General case' 0 CA--C 1.497 -1.075 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt . . . . . 0 C--O 1.261 1.663 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 -179.755 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 120.771 0.32 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 67.3 mtt -130.34 151.94 50.29 Favored 'General case' 0 CA--C 1.485 -1.553 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.35 93.58 3.0 Favored 'General case' 0 CA--C 1.465 -2.317 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 179.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.521 HD23 ' CD1' ' A' ' 7' ' ' PHE . 68.6 mt -130.63 73.05 1.52 Allowed 'General case' 0 CA--C 1.472 -2.037 0 CA-C-N 113.772 -1.558 . . . . 0.0 107.679 -179.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.417 ' HA ' ' HD1' ' A' ' 8' ' ' PHE . 23.2 p -155.99 -24.14 0.1 Allowed 'General case' 0 CA--C 1.479 -1.774 0 CA-C-N 112.167 -2.288 . . . . 0.0 106.481 177.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' DAB . . . . . 0.501 ' HA ' ' HD2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.609 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 7.6 m-85 -64.47 -21.22 66.6 Favored 'General case' 0 N--CA 1.395 -3.2 0 CA-C-N 110.599 -3.0 . . . . 0.0 109.702 -177.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.609 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 31.7 m-85 -100.64 35.8 2.07 Favored 'General case' 0 CA--C 1.456 -2.671 0 CA-C-O 125.173 2.416 . . . . 0.0 105.501 -176.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.576 ' H ' ' C ' ' A' ' 7' ' ' PHE . 1.6 mtp180 -151.4 -21.05 0.2 Allowed 'General case' 0 N--CA 1.406 -2.626 1 CA-C-N 108.08 -4.145 . . . . 0.0 106.28 175.749 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.591 ' HG2' ' CD1' ' A' ' 11' ' ' PHE . 5.0 pm0 -155.25 175.82 13.36 Favored 'General case' 0 C--N 1.38 1.916 0 C-N-CA 119.855 -0.738 . . . . 0.0 109.227 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.591 ' CD1' ' HG2' ' A' ' 10' ' ' GLN . 52.8 m-85 80.92 -72.63 0.06 Allowed 'General case' 0 CA--C 1.499 -1.01 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 178.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.711 ' H ' HD12 ' A' ' 12' ' ' ILE . 4.1 mp -81.66 -42.54 19.44 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.729 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 mt -82.32 -53.03 6.36 Favored 'General case' 0 N--CA 1.42 -1.936 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.951 -175.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -133.58 127.71 33.65 Favored 'General case' 0 CA--C 1.499 -0.997 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 -178.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.4 ptt85 -139.75 139.17 36.42 Favored 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -72.05 -39.86 68.76 Favored 'General case' 0 CA--C 1.491 -1.291 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.1 mtmt . . . . . 0 C--O 1.259 1.593 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -179.394 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 120.767 0.318 . . . . 0.0 110.747 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 67.2 mtt -131.51 151.35 51.65 Favored 'General case' 0 CA--C 1.482 -1.658 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.41 89.9 3.13 Favored 'General case' 0 CA--C 1.458 -2.576 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.553 HD23 ' CD1' ' A' ' 7' ' ' PHE . 69.5 mt -115.12 74.49 0.88 Allowed 'General case' 0 CA--C 1.472 -2.043 0 CA-C-N 112.929 -1.941 . . . . 0.0 108.872 -177.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.4 ' C ' ' H ' ' A' ' 8' ' ' PHE . 21.6 p -155.19 -32.86 0.1 Allowed 'General case' 0 CA--C 1.48 -1.712 0 CA-C-N 112.046 -2.343 . . . . 0.0 105.834 176.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' DAB . . . . . 0.498 ' C ' ' HG2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.668 ' HD2' HD11 ' A' ' 12' ' ' ILE . 9.7 m-85 -68.16 -20.41 64.88 Favored 'General case' 0 N--CA 1.387 -3.603 0 CA-C-N 111.604 -2.544 . . . . 0.0 109.125 -179.281 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.637 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 26.6 m-85 -104.34 39.81 1.59 Allowed 'General case' 0 CA--C 1.464 -2.349 0 CA-C-O 125.117 2.389 . . . . 0.0 105.704 -176.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.498 ' HG2' ' C ' ' A' ' 6' ' ' DAB . 0.4 OUTLIER -159.76 -21.26 0.07 Allowed 'General case' 0 N--CA 1.418 -2.069 1 CA-C-N 108.175 -4.102 . . . . 0.0 106.154 176.209 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 6' ' ' DAB . 0.0 OUTLIER -152.09 -174.34 4.84 Favored 'General case' 0 C--N 1.379 1.872 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 -179.235 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.559 ' HB2' HD12 ' A' ' 12' ' ' ILE . 56.6 m-85 70.89 -74.28 0.09 Allowed 'General case' 0 C--N 1.358 0.938 0 CA-C-O 120.969 0.414 . . . . 0.0 109.896 178.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.751 ' H ' HD12 ' A' ' 12' ' ' ILE . 3.9 mp -80.82 -47.25 20.56 Favored 'Isoleucine or valine' 0 CA--C 1.476 -1.903 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 -179.242 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 mt -78.91 -45.01 21.46 Favored 'General case' 0 N--CA 1.417 -2.091 0 CA-C-N 114.61 -1.177 . . . . 0.0 107.926 -176.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 78.93 -50.79 0.45 Allowed 'General case' 0 CA--C 1.504 -0.791 0 CA-C-N 115.215 -0.902 . . . . 0.0 108.981 179.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 95.9 mtm-85 -126.88 148.23 50.02 Favored 'General case' 0 CA--C 1.496 -1.111 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -93.87 -9.66 36.51 Favored 'General case' 0 CA--C 1.494 -1.202 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 87.9 tttt . . . . . 0 C--O 1.262 1.757 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 120.758 0.313 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 99.4 mtp -129.79 148.76 51.7 Favored 'General case' 0 CA--C 1.486 -1.492 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.645 ' O ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -144.9 95.32 2.67 Favored 'General case' 0 CA--C 1.468 -2.183 0 CA-C-O 123.151 1.453 . . . . 0.0 107.675 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.645 HD23 ' O ' ' A' ' 3' ' ' ARG . 18.2 mt -123.73 -17.32 6.42 Favored 'General case' 0 N--CA 1.423 -1.824 0 CA-C-N 113.722 -1.581 . . . . 0.0 107.289 179.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.1 p -79.56 1.67 25.08 Favored 'General case' 0 CA--C 1.483 -1.609 0 N-CA-C 106.334 -1.728 . . . . 0.0 106.334 -179.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' DAB . . . . . 0.56 ' HA ' ' HD2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.61 ' C ' ' H ' ' A' ' 9' ' ' ARG . 5.4 m-85 -66.56 -19.39 65.77 Favored 'General case' 0 N--CA 1.399 -2.996 0 CA-C-N 112.166 -2.288 . . . . 0.0 107.87 -178.066 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.605 ' CE1' ' O ' ' A' ' 4' ' ' LEU . 13.2 m-85 -97.4 36.86 1.41 Allowed 'General case' 0 CA--C 1.462 -2.434 0 CA-C-O 124.943 2.306 . . . . 0.0 106.224 -178.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.61 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -155.67 -19.64 0.11 Allowed 'General case' 0 N--CA 1.41 -2.443 0 CA-C-N 108.514 -3.948 . . . . 0.0 106.58 175.311 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.488 ' NE2' ' C ' ' A' ' 6' ' ' DAB . 0.0 OUTLIER -147.93 -178.4 6.26 Favored 'General case' 0 C--N 1.381 1.973 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 -178.464 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.531 ' HB2' HD12 ' A' ' 12' ' ' ILE . 79.9 m-85 70.4 -79.18 0.04 OUTLIER 'General case' 0 CA--C 1.503 -0.859 0 CA-C-O 121.014 0.435 . . . . 0.0 110.24 177.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.826 ' H ' HD12 ' A' ' 12' ' ' ILE . 4.3 mp -73.21 -44.7 55.19 Favored 'Isoleucine or valine' 0 CA--C 1.474 -1.95 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 -178.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.415 ' N ' HD23 ' A' ' 13' ' ' LEU . 4.0 mt -83.23 -49.55 9.32 Favored 'General case' 0 N--CA 1.412 -2.353 0 CA-C-N 114.137 -1.392 . . . . 0.0 108.057 -176.265 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 76.51 -56.15 0.57 Allowed 'General case' 0 C--N 1.355 0.815 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.143 179.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.9 mmt180 -110.63 139.6 45.74 Favored 'General case' 0 CA--C 1.496 -1.11 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.96 -9.25 31.64 Favored 'General case' 0 CA--C 1.493 -1.244 0 N-CA-C 106.573 -1.639 . . . . 0.0 106.573 179.156 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 87.7 tttt . . . . . 0 C--O 1.262 1.715 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 -179.941 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 120.769 0.319 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 79.5 mtm -131.19 150.52 52.11 Favored 'General case' 0 CA--C 1.487 -1.459 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.81 88.73 2.26 Favored 'General case' 0 CA--C 1.467 -2.24 0 CA-C-O 122.973 1.368 . . . . 0.0 107.557 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.602 ' O ' ' CE1' ' A' ' 8' ' ' PHE . 21.8 mt -118.7 -16.59 9.37 Favored 'General case' 0 N--CA 1.421 -1.879 0 CA-C-N 113.728 -1.578 . . . . 0.0 107.326 -179.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.5 p -79.05 0.32 28.33 Favored 'General case' 0 CA--C 1.483 -1.605 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' DAB . . . . . 0.545 ' HA ' ' HD2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.621 ' C ' ' H ' ' A' ' 9' ' ' ARG . 4.9 m-85 -66.2 -19.59 65.87 Favored 'General case' 0 N--CA 1.398 -3.04 0 CA-C-N 112.223 -2.262 . . . . 0.0 107.895 -178.198 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' A' ' 4' ' ' LEU . 13.6 m-85 -97.1 37.15 1.34 Allowed 'General case' 0 CA--C 1.462 -2.424 0 CA-C-O 125.025 2.345 . . . . 0.0 106.236 -178.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.621 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -156.49 -17.51 0.1 Allowed 'General case' 0 N--CA 1.411 -2.406 1 CA-C-N 108.322 -4.035 . . . . 0.0 106.511 175.24 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.484 ' NE2' ' C ' ' A' ' 6' ' ' DAB . 0.0 OUTLIER -149.5 176.89 10.21 Favored 'General case' 0 C--N 1.383 2.032 0 CA-C-O 121.657 0.741 . . . . 0.0 109.104 -178.568 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.595 ' HB2' HD12 ' A' ' 12' ' ' ILE . 82.9 m-85 73.72 -77.76 0.05 Allowed 'General case' 0 CA--C 1.501 -0.921 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.171 177.195 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.823 ' H ' HD12 ' A' ' 12' ' ' ILE . 4.3 mp -74.5 -42.83 49.23 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.843 0 CA-C-O 121.987 0.898 . . . . 0.0 108.822 -178.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.414 ' N ' HD23 ' A' ' 13' ' ' LEU . 5.2 mt -81.82 -50.44 9.22 Favored 'General case' 0 N--CA 1.417 -2.12 0 CA-C-N 114.59 -1.186 . . . . 0.0 110.55 -174.255 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -149.08 151.81 35.09 Favored 'General case' 0 CA--C 1.498 -1.027 0 C-N-CA 119.03 -1.068 . . . . 0.0 108.865 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -76.76 148.97 36.35 Favored 'General case' 0 CA--C 1.5 -0.972 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.79 -22.03 60.9 Favored 'General case' 0 CA--C 1.501 -0.942 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp . . . . . 0 C--O 1.263 1.801 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 -179.935 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 120.721 0.296 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 99.2 mtp -131.56 152.15 51.01 Favored 'General case' 0 CA--C 1.483 -1.625 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.19 114.46 14.5 Favored 'General case' 0 CA--C 1.47 -2.135 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 177.457 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.503 ' HA ' HD23 ' A' ' 4' ' ' LEU . 64.5 mt -131.04 68.6 1.48 Allowed 'General case' 0 CA--C 1.472 -2.032 0 CA-C-O 123.391 1.567 . . . . 0.0 108.458 179.363 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.416 ' HA ' ' HD1' ' A' ' 8' ' ' PHE . 27.5 p -156.84 -21.67 0.09 Allowed 'General case' 0 CA--C 1.479 -1.767 0 CA-C-N 112.062 -2.336 . . . . 0.0 106.714 176.438 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' DAB . . . . . 0.489 ' HA ' ' HD2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.621 ' HD2' HD11 ' A' ' 12' ' ' ILE . 6.9 m-85 -64.47 -21.29 66.62 Favored 'General case' 0 N--CA 1.395 -3.193 0 CA-C-N 110.652 -2.976 . . . . 0.0 109.442 -177.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.609 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 31.3 m-85 -100.41 35.69 2.06 Favored 'General case' 0 CA--C 1.458 -2.595 0 CA-C-O 125.11 2.386 . . . . 0.0 105.419 -176.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.587 ' H ' ' C ' ' A' ' 7' ' ' PHE . 2.0 mtp180 -151.29 -22.74 0.21 Allowed 'General case' 0 N--CA 1.407 -2.619 1 CA-C-N 108.083 -4.144 . . . . 0.0 106.213 175.905 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.596 ' HG2' ' CD1' ' A' ' 11' ' ' PHE . 5.5 pm0 -154.41 177.93 10.62 Favored 'General case' 0 C--N 1.381 1.972 0 O-C-N 121.553 -0.717 . . . . 0.0 109.217 179.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.596 ' CD1' ' HG2' ' A' ' 10' ' ' GLN . 53.6 m-85 80.05 -70.85 0.08 Allowed 'General case' 0 CA--C 1.501 -0.909 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.683 ' H ' HD12 ' A' ' 12' ' ' ILE . 4.0 mp -84.23 -44.11 17.81 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.668 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 -179.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 mt -79.9 -51.09 9.55 Favored 'General case' 0 N--CA 1.42 -1.95 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.706 -175.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -114.31 132.9 56.01 Favored 'General case' 0 CA--C 1.497 -1.06 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -72.27 143.65 48.67 Favored 'General case' 0 CA--C 1.501 -0.933 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -21.92 59.49 Favored 'General case' 0 CA--C 1.5 -0.943 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt . . . . . 0 C--O 1.262 1.743 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 180.0 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 N--CA 1.488 1.469 0 CA-C-O 121.181 0.515 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 99.3 mtp -130.89 148.52 52.67 Favored 'General case' 0 CA--C 1.488 -1.436 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.51 86.82 1.48 Allowed 'General case' 0 CA--C 1.467 -2.238 0 CA-C-O 123.002 1.382 . . . . 0.0 107.977 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.605 ' O ' ' HB2' ' A' ' 7' ' ' PHE . 24.3 mt -118.49 -16.31 9.54 Favored 'General case' 0 N--CA 1.421 -1.899 0 CA-C-N 113.756 -1.566 . . . . 0.0 107.163 -179.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.9 p -79.29 0.82 27.26 Favored 'General case' 0 CA--C 1.482 -1.652 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 -179.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' DAB . . . . . 0.551 ' HA ' ' HD2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.609 ' C ' ' H ' ' A' ' 9' ' ' ARG . 5.8 m-85 -66.48 -19.75 65.87 Favored 'General case' 0 N--CA 1.398 -3.026 0 CA-C-N 112.237 -2.256 . . . . 0.0 107.842 -178.211 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.594 ' CE1' ' O ' ' A' ' 4' ' ' LEU . 13.0 m-85 -97.24 37.74 1.31 Allowed 'General case' 0 CA--C 1.461 -2.457 0 CA-C-O 125.068 2.366 . . . . 0.0 106.191 -178.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.609 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -155.86 -22.78 0.11 Allowed 'General case' 0 N--CA 1.41 -2.463 1 CA-C-N 108.252 -4.067 . . . . 0.0 106.235 175.171 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.474 ' NE2' ' C ' ' A' ' 6' ' ' DAB . 0.0 OUTLIER -145.98 -178.21 6.0 Favored 'General case' 0 C--N 1.38 1.923 0 C-N-CA 119.881 -0.728 . . . . 0.0 109.271 -178.149 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.556 ' HB2' HD12 ' A' ' 12' ' ' ILE . 83.6 m-85 71.41 -72.83 0.11 Allowed 'General case' 0 C--N 1.356 0.89 0 CA-C-O 121.03 0.443 . . . . 0.0 110.275 177.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.755 ' H ' HD12 ' A' ' 12' ' ' ILE . 4.0 mp -81.43 -44.78 20.64 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.828 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 -179.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.418 ' N ' HD23 ' A' ' 13' ' ' LEU . 3.4 mt -84.88 -46.4 11.34 Favored 'General case' 0 N--CA 1.418 -2.035 0 CA-C-N 114.629 -1.168 . . . . 0.0 108.989 -175.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 62.93 48.88 3.75 Favored 'General case' 0 CA--C 1.507 -0.679 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.8 mmp_? -98.11 134.64 40.9 Favored 'General case' 0 CA--C 1.498 -1.043 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -98.1 -11.23 23.09 Favored 'General case' 0 CA--C 1.493 -1.214 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.8 mttm . . . . . 0 C--O 1.261 1.697 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 -179.914 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 120.856 0.36 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 62.9 mtt -131.67 152.14 51.09 Favored 'General case' 0 CA--C 1.485 -1.536 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.722 ' O ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -137.86 109.78 7.19 Favored 'General case' 0 CA--C 1.471 -2.065 0 N-CA-C 105.569 -2.012 . . . . 0.0 105.569 177.209 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.722 HD23 ' O ' ' A' ' 3' ' ' ARG . 20.3 mt -125.59 -20.7 4.65 Favored 'General case' 0 N--CA 1.421 -1.922 0 CA-C-N 114.769 -1.105 . . . . 0.0 108.332 -179.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.404 ' HA ' ' CD1' ' A' ' 8' ' ' PHE . 84.9 p -70.87 -13.79 62.16 Favored 'General case' 0 CA--C 1.485 -1.55 0 O-C-N 119.667 -1.896 . . . . 0.0 106.405 -179.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' DAB . . . . . 0.467 ' C ' ' HG2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.622 ' HD2' HD11 ' A' ' 12' ' ' ILE . 5.1 m-85 -69.46 -18.05 63.68 Favored 'General case' 0 N--CA 1.391 -3.397 0 CA-C-N 113.332 -1.758 . . . . 0.0 106.838 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.603 ' CE1' ' O ' ' A' ' 4' ' ' LEU . 12.3 m-85 -100.27 40.79 1.22 Allowed 'General case' 0 CA--C 1.469 -2.144 0 CA-C-O 125.073 2.368 . . . . 0.0 106.301 -178.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.53 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -161.52 -18.77 0.05 OUTLIER 'General case' 0 N--CA 1.422 -1.871 1 CA-C-N 108.388 -4.005 . . . . 0.0 106.061 175.412 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.43 ' H ' ' H ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -148.73 -178.26 6.24 Favored 'General case' 0 C--N 1.379 1.889 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 -178.624 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.55 ' HB2' HD12 ' A' ' 12' ' ' ILE . 77.5 m-85 69.96 -77.13 0.06 Allowed 'General case' 0 C--N 1.354 0.792 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.619 177.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.782 ' H ' HD12 ' A' ' 12' ' ' ILE . 4.3 mp -75.82 -44.49 39.13 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.84 0 CA-C-O 122.168 0.985 . . . . 0.0 108.601 -178.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.419 HD23 ' N ' ' A' ' 13' ' ' LEU . 4.2 mt -81.98 -36.22 28.11 Favored 'General case' 0 N--CA 1.417 -2.112 0 CA-C-N 114.354 -1.294 . . . . 0.0 109.19 -175.309 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -71.26 130.13 40.65 Favored 'General case' 0 CA--C 1.504 -0.821 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -128.45 149.19 50.67 Favored 'General case' 0 CA--C 1.496 -1.108 0 N-CA-C 107.024 -1.472 . . . . 0.0 107.024 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -93.31 -11.58 32.09 Favored 'General case' 0 CA--C 1.494 -1.202 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt . . . . . 0 C--O 1.262 1.721 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 . . . . . 0 N--CA 1.489 1.497 0 CA-C-O 121.065 0.459 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 66.6 mtt -129.82 149.55 51.51 Favored 'General case' 0 CA--C 1.491 -1.305 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.408 ' O ' ' HG2' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -137.04 65.25 1.51 Allowed 'General case' 0 CA--C 1.465 -2.297 0 CA-C-O 123.28 1.514 . . . . 0.0 106.935 -179.562 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.45 HD23 ' CD1' ' A' ' 7' ' ' PHE . 64.6 mt -93.19 73.66 4.63 Favored 'General case' 0 N--CA 1.408 -2.563 0 CA-C-N 113.444 -1.707 . . . . 0.0 109.423 -175.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.2 p -160.89 -27.87 0.06 Allowed 'General case' 0 CA--C 1.479 -1.785 0 CA-C-N 111.456 -2.611 . . . . 0.0 105.681 176.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' DAB . . . . . 0.476 ' HA ' ' HD2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.694 ' HD2' HD11 ' A' ' 12' ' ' ILE . 6.5 m-85 -63.19 -21.67 66.37 Favored 'General case' 0 N--CA 1.394 -3.251 0 CA-C-N 110.418 -3.083 . . . . 0.0 109.843 -178.121 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.63 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 30.4 m-85 -101.11 35.87 2.12 Favored 'General case' 0 CA--C 1.455 -2.689 0 CA-C-O 125.113 2.387 . . . . 0.0 105.937 -176.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.566 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.7 OUTLIER -153.92 -20.75 0.14 Allowed 'General case' 0 N--CA 1.408 -2.568 1 CA-C-N 108.167 -4.106 . . . . 0.0 106.512 175.924 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.421 ' NE2' ' C ' ' A' ' 6' ' ' DAB . 0.0 OUTLIER -151.74 -178.98 7.04 Favored 'General case' 0 C--N 1.383 2.052 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -178.684 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.603 ' HB2' HD12 ' A' ' 12' ' ' ILE . 60.4 m-85 73.78 -71.55 0.13 Allowed 'General case' 0 C--N 1.357 0.91 0 CA-C-O 121.099 0.476 . . . . 0.0 109.855 177.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.733 ' H ' HD12 ' A' ' 12' ' ' ILE . 3.9 mp -82.52 -44.05 19.22 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.763 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 -179.261 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.9 mt -82.07 -53.53 6.03 Favored 'General case' 0 N--CA 1.419 -2.018 0 CA-C-N 114.924 -1.034 . . . . 0.0 109.203 -175.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -107.88 115.61 30.45 Favored 'General case' 0 CA--C 1.498 -1.02 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 -80.98 152.85 27.78 Favored 'General case' 0 CA--C 1.498 -1.035 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.2 -20.64 61.54 Favored 'General case' 0 CA--C 1.5 -0.96 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.485 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.261 1.708 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 179.852 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 120.759 0.314 . . . . 0.0 110.64 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 67.4 mtt -134.2 162.59 31.72 Favored 'General case' 0 CA--C 1.481 -1.704 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.602 ' HG2' ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -93.47 -78.23 0.43 Allowed 'General case' 0 N--CA 1.423 -1.801 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 -179.271 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.602 ' H ' ' HG2' ' A' ' 3' ' ' ARG . 17.2 mt 65.4 39.03 5.41 Favored 'General case' 0 CA--C 1.482 -1.673 0 CA-C-O 123.165 1.459 . . . . 0.0 109.223 176.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.425 ' C ' ' H ' ' A' ' 8' ' ' PHE . 22.7 p -147.36 -35.28 0.24 Allowed 'General case' 0 CA--C 1.475 -1.907 0 N-CA-C 104.121 -2.548 . . . . 0.0 104.121 174.091 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' DAB . . . . . 0.479 ' C ' ' HG2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.672 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 3.3 m-85 -66.18 -22.14 66.35 Favored 'General case' 0 N--CA 1.39 -3.455 0 CA-C-N 111.499 -2.591 . . . . 0.0 108.517 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.672 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 33.2 m-85 -104.94 41.77 1.3 Allowed 'General case' 0 CA--C 1.463 -2.367 0 CA-C-O 125.085 2.374 . . . . 0.0 106.678 -175.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.479 ' HG2' ' C ' ' A' ' 6' ' ' DAB . 0.3 OUTLIER -161.97 -19.27 0.04 OUTLIER 'General case' 0 N--CA 1.424 -1.759 1 CA-C-N 108.309 -4.041 . . . . 0.0 106.585 176.204 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 6' ' ' DAB . 0.0 OUTLIER -150.93 -166.69 2.61 Favored 'General case' 0 C--N 1.37 1.46 0 N-CA-C 106.742 -1.577 . . . . 0.0 106.742 -178.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.655 ' HB2' HD12 ' A' ' 12' ' ' ILE . 96.7 m-85 65.77 -84.76 0.03 OUTLIER 'General case' 0 C--N 1.356 0.877 0 CA-C-O 121.524 0.678 . . . . 0.0 109.848 178.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.841 ' H ' HD12 ' A' ' 12' ' ' ILE . 4.4 mp -73.05 -41.75 59.34 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.723 0 CA-C-N 115.082 -0.963 . . . . 0.0 108.901 -178.181 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 mt -83.45 -35.33 25.05 Favored 'General case' 0 N--CA 1.419 -2.022 0 CA-C-N 115.014 -0.994 . . . . 0.0 108.65 -175.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -62.99 -45.22 93.45 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.74 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 91.6 mtm180 -137.77 147.63 44.83 Favored 'General case' 0 CA--C 1.494 -1.194 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.5 mmtt -96.35 -3.74 43.24 Favored 'General case' 0 CA--C 1.5 -0.96 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 -178.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt . . . . . 0 C--O 1.262 1.734 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -179.928 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 34.0 tp10 . . . . . 0 N--CA 1.488 1.457 0 CA-C-O 121.266 0.555 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 99.4 mtp -132.96 151.2 52.09 Favored 'General case' 0 CA--C 1.485 -1.52 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.98 93.52 2.56 Favored 'General case' 0 CA--C 1.465 -2.293 0 CA-C-O 123.013 1.387 . . . . 0.0 107.711 179.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.543 HD23 ' CD1' ' A' ' 7' ' ' PHE . 68.5 mt -131.74 73.05 1.51 Allowed 'General case' 0 CA--C 1.471 -2.081 0 CA-C-N 113.614 -1.63 . . . . 0.0 107.383 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.444 ' HA ' ' HD1' ' A' ' 8' ' ' PHE . 33.8 p -155.28 -22.99 0.11 Allowed 'General case' 0 CA--C 1.48 -1.741 0 CA-C-N 112.11 -2.314 . . . . 0.0 106.554 177.244 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' DAB . . . . . 0.502 ' HA ' ' HD2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.674 ' HD2' HD11 ' A' ' 12' ' ' ILE . 9.2 m-85 -63.16 -21.58 66.3 Favored 'General case' 0 N--CA 1.395 -3.179 0 CA-C-N 110.345 -3.116 . . . . 0.0 110.095 -177.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.635 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 32.6 m-85 -101.24 35.53 2.23 Favored 'General case' 0 CA--C 1.456 -2.646 0 CA-C-O 125.201 2.429 . . . . 0.0 105.78 -176.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.572 ' H ' ' C ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -153.83 -20.53 0.14 Allowed 'General case' 0 N--CA 1.408 -2.538 1 CA-C-N 108.066 -4.152 . . . . 0.0 106.535 175.963 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.409 ' NE2' ' C ' ' A' ' 6' ' ' DAB . 0.0 OUTLIER -151.99 -179.12 7.2 Favored 'General case' 0 C--N 1.383 2.029 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 -178.758 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.609 ' HB2' HD12 ' A' ' 12' ' ' ILE . 61.3 m-85 73.92 -70.18 0.16 Allowed 'General case' 0 C--N 1.356 0.878 0 CA-C-O 121.145 0.498 . . . . 0.0 109.844 177.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.725 ' H ' HD12 ' A' ' 12' ' ' ILE . 3.7 mp -84.7 -42.29 16.56 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.743 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.0 mt -83.69 -54.23 5.07 Favored 'General case' 0 N--CA 1.42 -1.951 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.964 -175.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -127.67 127.59 44.01 Favored 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 -178.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -149.44 161.04 42.88 Favored 'General case' 0 CA--C 1.49 -1.342 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -118.45 80.36 1.52 Allowed 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 179.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 88.1 tttt . . . . . 0 C--O 1.262 1.75 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 179.739 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 120.802 0.334 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 99.4 mtp -130.9 150.2 52.17 Favored 'General case' 0 CA--C 1.486 -1.504 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.05 95.11 2.75 Favored 'General case' 0 CA--C 1.465 -2.293 0 CA-C-O 123.1 1.428 . . . . 0.0 107.507 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.545 HD23 ' CD1' ' A' ' 7' ' ' PHE . 65.7 mt -132.23 72.99 1.51 Allowed 'General case' 0 CA--C 1.471 -2.06 0 CA-C-N 113.542 -1.663 . . . . 0.0 107.464 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.42 ' C ' ' H ' ' A' ' 8' ' ' PHE . 24.7 p -152.89 -31.21 0.13 Allowed 'General case' 0 CA--C 1.48 -1.747 0 CA-C-N 112.034 -2.348 . . . . 0.0 105.971 177.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' DAB . . . . . 0.494 ' C ' ' HG2' ' A' ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.693 ' HD2' HD11 ' A' ' 12' ' ' ILE . 9.7 m-85 -67.8 -21.19 65.24 Favored 'General case' 0 N--CA 1.387 -3.592 0 CA-C-N 111.599 -2.546 . . . . 0.0 109.066 -179.487 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.664 ' CE2' ' HB3' ' A' ' 7' ' ' PHE . 27.3 m-85 -103.99 40.57 1.42 Allowed 'General case' 0 CA--C 1.463 -2.391 0 CA-C-O 125.223 2.439 . . . . 0.0 105.867 -176.127 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.494 ' HG2' ' C ' ' A' ' 6' ' ' DAB . 0.4 OUTLIER -159.8 -22.97 0.07 Allowed 'General case' 0 N--CA 1.417 -2.088 1 CA-C-N 108.082 -4.145 . . . . 0.0 105.967 176.082 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.447 ' H ' ' H ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -150.87 -175.92 5.32 Favored 'General case' 0 C--N 1.379 1.876 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -178.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.578 ' HB2' HD12 ' A' ' 12' ' ' ILE . 49.7 m-85 72.06 -69.6 0.18 Allowed 'General case' 0 C--N 1.359 0.984 0 CA-C-O 120.93 0.395 . . . . 0.0 110.032 178.201 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.697 ' H ' HD12 ' A' ' 12' ' ' ILE . 3.8 mp -85.86 -46.3 16.92 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.787 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.6 mt -81.74 -47.42 12.93 Favored 'General case' 0 N--CA 1.421 -1.915 0 CA-C-N 114.868 -1.06 . . . . 0.0 108.857 -176.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 60.92 50.61 5.09 Favored 'General case' 0 CA--C 1.506 -0.747 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -79.56 152.92 29.85 Favored 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -88.77 -10.45 48.22 Favored 'General case' 0 CA--C 1.495 -1.152 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.6 mttt . . . . . 0 C--O 1.262 1.727 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 179.837 . . . . . . . . 0 0 . 1 stop_ save_